N-(3-Indolylmethyl)benzylamine - CAS 57506-64-6

Catalog:	BB029726
Product Name:	N-(3-Indolylmethyl)benzylamine
CAS:	57506-64-6
Synonyms:	N-(1H-indol-3-ylmethyl)-1-phenylmethanamine; N-(1H-indol-3-ylmethyl)-1-phenylmethanamine

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Computed Properties

IUPAC Name:	N-(1H-indol-3-ylmethyl)-1-phenylmethanamine
Description:	N-(3-Indolylmethyl)benzylamine (CAS# 57506-64-6 ) is a useful research chemical.
Molecular Weight:	236.31
Molecular Formula:	C16H16N2
Canonical SMILES:	C1=CC=C(C=C1)CNCC2=CNC3=CC=CC=C32
InChI:	InChI=1S/C16H16N2/c1-2-6-13(7-3-1)10-17-11-14-12-18-16-9-5-4-8-15(14)16/h1-9,12,17-18H,10-11H2
InChI Key:	HOAMAZXLUBYFFA-UHFFFAOYSA-N
LogP:	3.84860

Publication Number	Title	Priority Date
EP-1928826-A1	Sulphonylpyrrole hydrochloride salts as histone deacetylases inhibitors	20050921
EP-1928872-A1	Novel sulphonylpyrroles as inhibitors of hdac s novel sulphonylpyrroles	20050921
TW-I382971-B	Novel sulfonylpyrrole	20050921
US-2009263353-A1	Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles	20050921
US-2009297473-A1	Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors	20050921

PMID	Publication Date	Title	Journal
8135641	19940201	[Antimycobacterial indole derivatives]	Archiv der Pharmazie

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[771-50-6]
Indole-3-carboxylic acid

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Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.131348519
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.131348519
Rotatable Bond Count:	4
Topological Polar Surface Area:	27.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8