2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile

C17H15N3 — CID 102916437

IUPAC2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc2ccc(CN)cc21
InChIInChI=1S/C17H15N3/c18-10-13-5-6-14-7-8-20(17(14)9-13)12-16-4-2-1-3-15(16)11-19/h1-9H,10,12,18H2
InChIKeyYHPZWPAMXWLVTA-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.02
Rot. Bonds3

About 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile

2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile (PubChem CID 102916437) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile
PubChem CID102916437
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc2ccc(CN)cc21
InChIInChI=1S/C17H15N3/c18-10-13-5-6-14-7-8-20(17(14)9-13)12-16-4-2-1-3-15(16)11-19/h1-9H,10,12,18H2
InChIKeyYHPZWPAMXWLVTA-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

2-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546876
1-[(2-cyanophenyl)methyl]indole-5-carboxylic acid
CID 63748946
[1-(4-phenylbutyl)indol-6-yl]methanamine
CID 102916392
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
4-[[5-(aminomethyl)indol-1-yl]methyl]-3-chlorobenzonitrile
CID 102915523
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
CID 107309943
5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
CID 107880798
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
2-[1-[(2-chloro-3-fluorophenyl)methyl]indol-6-yl]ethanamine
CID 102917786
[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate
CID 175555612

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile (CID 102916437) is 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1ccc2ccc(CN)cc21.
What is the InChIKey of 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile?
The InChIKey is YHPZWPAMXWLVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-10-13-5-6-14-7-8-20(17(14)9-13)12-16-4-2-1-3-15(16)11-19/h1-9H,10,12,18H2.
What are the key properties of 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile?
2-[[6-(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 2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 102916437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).