General Information of the Compound
Compound ID
CP0377119
Compound Name
C-(9H-Xanthen-9-yl)-methylamine
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Synonyms
(9H-XANTHEN-9-YL)METHANAMINE
1-(9H-Xanthen-9-yl)methanamine
100866-28-2
9-AMINOMETHYL XANTHENE
9-aminomethylxanthene
9H-Xanthene-9-methanamine
AB24946
ACMC-20m3ww
AKOS015152152
BDBM50097214
C-(9H-Xanthen-9-yl)-methylamine
CHEMBL155276
CTK0H2362
DTXSID20576237
SCHEMBL4667689
VYDDHEPARBFMGU-UHFFFAOYSA-N
XANTHENE-9-METHYLAMINE
ZINC21984468
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Structure
Formula
C14H13NO
Molecular Weight
211.264
Canonical SMILES
NCC1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C14H13NO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9,15H2
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InChIKey
VYDDHEPARBFMGU-UHFFFAOYSA-N
Physicochemical Property
logP
2.8829
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 15645577
ChEMBL ID
CHEMBL155276
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: PT01492, 5-hydroxytryptamine receptor 2A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  1
1
Ki = 170 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( C-(9H-Xanthen-9-yl)-methylamine )
Drug Name C-(9H-Xanthen-9-yl)-methylamine
Target(s)
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor