General Information of the Compound
Compound ID
CP0408597
Compound Name
4-Inden-(1E)-ylidenemethyl-phenylamine
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Synonyms
1-(4-Aminobenzylidene)indene
4-(1H-Inden-1-ylidenemethyl)aniline
4-(1H-Inden-1-ylidenemethyl)phenylamine
4-Inden-(1E)-ylidenemethyl-phenylamine
4-[(E)-inden-1-ylidenemethyl]aniline
487-61-6
AC1O53IW
AC1Q1HQ2
AKOS030547084
BDBM50164749
Benzenamine, 4-(1H-inden-1-ylidenemethyl)-
CHEMBL193376
MLS002694146
NCGC00186285-01
NCGC00186285-06
NCGC00186285-07
NCGC00186285-09
NCGC00186285-11
NCGC00186285-13
NSC-83092
NSC83092
WLN: L56 BYJ BU1R DZ
ZINC100425076
cid_98148
p-Toluidine, .alpha.-inden-1-ylidene-
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Structure
Formula
C16H13N
Molecular Weight
219.287
Canonical SMILES
Nc1ccc(\C=C2/C=Cc3ccccc23)cc1
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InChI
InChI=1S/C16H13N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,17H2/b14-11+
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InChIKey
GISMNWZLKDONAA-SDNWHVSQSA-N
CAS
487-61-6
Physicochemical Property
logP
3.8362
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 6476992
ChEMBL ID
CHEMBL193376
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: PT01354, 5-hydroxytryptamine receptor 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 640 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Inden-(1E)-ylidenemethyl-phenylamine )
Drug Name 4-Inden-(1E)-ylidenemethyl-phenylamine
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Inhibitor