4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile

C15H15N3 — CID 62951583

IUPAC4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccccc2CN)cc1
InChIInChI=1S/C15H15N3/c16-9-12-5-7-15(8-6-12)18-11-14-4-2-1-3-13(14)10-17/h1-8,18H,10-11,17H2
InChIKeyORWUBOYYYMQUKJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.63
Rot. Bonds4

About 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile

4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile (PubChem CID 62951583) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile
PubChem CID62951583
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccccc2CN)cc1
InChIInChI=1S/C15H15N3/c16-9-12-5-7-15(8-6-12)18-11-14-4-2-1-3-13(14)10-17/h1-8,18H,10-11,17H2
InChIKeyORWUBOYYYMQUKJ-UHFFFAOYSA-N
XLogP2.63
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclopropylphenyl)methylamino]benzonitrile
CID 79979257
4-[[2-(aminomethyl)phenyl]methylamino]-3,5-difluorobenzonitrile
CID 81294412
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
methyl 2-[(4-cyanoanilino)methyl]benzoate
CID 43763733
4-(anilinomethyl)benzonitrile
CID 11148468
[2-(aminomethyl)phenyl]methylcyanamide
CID 139669460
4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 115884762
4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
CID 133375330
4-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methylamino]benzonitrile
CID 75471135
4-[(2-methyl-3-nitrophenyl)methylamino]benzonitrile
CID 43509010
4-[(6-bromo-2-pyridinyl)methylamino]benzonitrile
CID 112581776
4-[(2-bromo-5-chlorophenyl)methylamino]benzonitrile
CID 66159273

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile?
The IUPAC name of 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile (CID 62951583) is 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile.
What is the SMILES notation for 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile?
The canonical SMILES for 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile is N#Cc1ccc(NCc2ccccc2CN)cc1.
What is the InChIKey of 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile?
The InChIKey is ORWUBOYYYMQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-9-12-5-7-15(8-6-12)18-11-14-4-2-1-3-13(14)10-17/h1-8,18H,10-11,17H2.
What are the key properties of 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile?
4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile is sourced from PubChem (CID 62951583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).