General Information of the Compound
Compound ID
CP0010235
Compound Name
2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine
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Synonyms
157798-12-4
1H-Indole-3-ethanamine,5-(nonyloxy)-
2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine
2-(5-nonoxy-1H-indol-3-yl)ethanamine
2-[5-(nonyloxy)-1H-indol-3-yl]ethanamine
3-(2-aminoethyl)-5-nonyloxyindole
5-(Nonyloxy)-1H-indole-3-ethanamine
5-(Nonyloxy)-tryptamine
5-(Nonyloxy)tryptamine
5-(nonyloxy)-tryptamine
5-Nonyloxytryptamine
AC1L1C9C
AC1Q56M5
AKOS030238973
BDBM50039947
BPBio1_000133
Biomol-NT_000115
CHEBI:64149
CHEMBL97450
CTK4C9475
DTXSID4058653
GTPL106
NCGC00024858-01
O-nonylserotonin
SCHEMBL2335932
Tocris-0901
ZINC1541570
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Structure
Formula
C19H30N2O
Molecular Weight
302.462
Canonical SMILES
CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
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InChI
InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3
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InChIKey
YHSMSRREJYOGQJ-UHFFFAOYSA-N
CAS
157798-12-4
Physicochemical Property
logP
4.7985
Rotatable Bonds
11
Heavy Atom Count
22
Polar Areas
51.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 1797
SID: 14776228
ChEMBL ID
CHEMBL97450
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 68 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine )
Drug Name 2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine
Target(s)
5-HT 1B receptor (HTR1B)
 Target Info 
Agonist
5-HT 1D receptor (HTR1D)
 Target Info 
Inhibitor