2-(2-amino-6-methylanilino)benzonitrile

C14H13N3 — CID 113333675

IUPAC2-(2-amino-6-methylanilino)benzonitrile
SMILESCc1cccc(N)c1Nc1ccccc1C#N
InChIInChI=1S/C14H13N3/c1-10-5-4-7-12(16)14(10)17-13-8-3-2-6-11(13)9-15/h2-8,17H,16H2,1H3
InChIKeyBNDHHIOPHJAEAC-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.19
Rot. Bonds2

About 2-(2-amino-6-methylanilino)benzonitrile

2-(2-amino-6-methylanilino)benzonitrile (PubChem CID 113333675) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-amino-6-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-(2-amino-6-methylanilino)benzonitrile
PubChem CID113333675
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(2-amino-6-methylanilino)benzonitrile
SMILESCc1cccc(N)c1Nc1ccccc1C#N
InChIInChI=1S/C14H13N3/c1-10-5-4-7-12(16)14(10)17-13-8-3-2-6-11(13)9-15/h2-8,17H,16H2,1H3
InChIKeyBNDHHIOPHJAEAC-UHFFFAOYSA-N
XLogP3.19
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.19
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-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-(2-bromoanilino)-3-methylbenzonitrile
CID 107106356
3-methyl-2-(naphthalen-1-ylamino)benzonitrile
CID 107106270
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
2-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877501
2-amino-N-(2-cyanophenyl)-6-methylbenzamide
CID 16781189
2-(2-aminoanilino)-3-methoxybenzonitrile
CID 107466495
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
2-(5-amino-2-chloroanilino)-3-methylbenzonitrile
CID 107111345
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylanilino)benzonitrile?
The IUPAC name of 2-(2-amino-6-methylanilino)benzonitrile (CID 113333675) is 2-(2-amino-6-methylanilino)benzonitrile.
What is the SMILES notation for 2-(2-amino-6-methylanilino)benzonitrile?
The canonical SMILES for 2-(2-amino-6-methylanilino)benzonitrile is Cc1cccc(N)c1Nc1ccccc1C#N.
What is the InChIKey of 2-(2-amino-6-methylanilino)benzonitrile?
The InChIKey is BNDHHIOPHJAEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-5-4-7-12(16)14(10)17-13-8-3-2-6-11(13)9-15/h2-8,17H,16H2,1H3.
What are the key properties of 2-(2-amino-6-methylanilino)benzonitrile?
2-(2-amino-6-methylanilino)benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylanilino)benzonitrile is sourced from PubChem (CID 113333675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).