3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile

C15H15N3 — CID 66417871

IUPAC3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1NCc1ccccc1N
InChIInChI=1S/C15H15N3/c1-11-6-7-12(9-16)8-15(11)18-10-13-4-2-3-5-14(13)17/h2-8,18H,10,17H2,1H3
InChIKeySAAUJCLMSSFJMY-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.06
Rot. Bonds3

About 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile

3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile (PubChem CID 66417871) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile
PubChem CID66417871
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1NCc1ccccc1N
InChIInChI=1S/C15H15N3/c1-11-6-7-12(9-16)8-15(11)18-10-13-4-2-3-5-14(13)17/h2-8,18H,10,17H2,1H3
InChIKeySAAUJCLMSSFJMY-UHFFFAOYSA-N
XLogP3.06
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-cyano-2-methylanilino)methyl]benzamide
CID 62103575
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
3-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylbenzonitrile
CID 62103912
4-methyl-3-[(2-prop-2-enoxyphenyl)methylamino]benzonitrile
CID 62102985
3-[(2-chloro-4-methylphenyl)methylamino]-4-methylbenzonitrile
CID 106862565
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
3-methyl-4-[(2-propylanilino)methyl]benzonitrile
CID 114480098
4-methyl-3-(2-phenylethylamino)benzonitrile
CID 62103349
3-[(2-bromo-5-chlorophenyl)methylamino]-4-methylbenzonitrile
CID 66160570
3-[(5-chlorofuran-2-yl)methylamino]-4-methylbenzonitrile
CID 62105766
3-chloro-4-[(5-chloro-2-methylanilino)methyl]benzonitrile
CID 102663740

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile?
The IUPAC name of 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile (CID 66417871) is 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile?
The canonical SMILES for 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile is Cc1ccc(C#N)cc1NCc1ccccc1N.
What is the InChIKey of 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile?
The InChIKey is SAAUJCLMSSFJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-6-7-12(9-16)8-15(11)18-10-13-4-2-3-5-14(13)17/h2-8,18H,10,17H2,1H3.
What are the key properties of 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile?
3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile is sourced from PubChem (CID 66417871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).