4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile

C17H15N3 — CID 102913605

IUPAC4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccc3cccc(CN)c32)cc1
InChIInChI=1S/C17H15N3/c18-10-13-4-6-14(7-5-13)12-20-9-8-15-2-1-3-16(11-19)17(15)20/h1-9H,11-12,19H2
InChIKeyKJQGXRBGWUGKEX-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.02
Rot. Bonds3

About 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile

4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile (PubChem CID 102913605) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile
PubChem CID102913605
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccc3cccc(CN)c32)cc1
InChIInChI=1S/C17H15N3/c18-10-13-4-6-14(7-5-13)12-20-9-8-15-2-1-3-16(11-19)17(15)20/h1-9H,11-12,19H2
InChIKeyKJQGXRBGWUGKEX-UHFFFAOYSA-N
XLogP3.02
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine
CID 105409601
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
7-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole;4-[1-[(4-methoxyphenyl)methyl]indol-7-yl]benzonitrile
CID 123968185
5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102913556
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
3-[(7-aminoindol-1-yl)methyl]-4-fluorobenzonitrile
CID 114935754
[1-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
CID 102913706
1-benzyl-7-(2-methylpropyl)indole
CID 59836563

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile (CID 102913605) is 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2ccc3cccc(CN)c32)cc1.
What is the InChIKey of 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile?
The InChIKey is KJQGXRBGWUGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-10-13-4-6-14(7-5-13)12-20-9-8-15-2-1-3-16(11-19)17(15)20/h1-9H,11-12,19H2.
What are the key properties of 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile?
4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 102913605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).