2-(2-aminoanilino)-3-methoxybenzonitrile

C14H13N3O — CID 107466495

IUPAC2-(2-aminoanilino)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ccccc1N
InChIInChI=1S/C14H13N3O/c1-18-13-8-4-5-10(9-15)14(13)17-12-7-3-2-6-11(12)16/h2-8,17H,16H2,1H3
InChIKeySUGHBXCOOGFZAI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-aminoanilino)-3-methoxybenzonitrile

2-(2-aminoanilino)-3-methoxybenzonitrile (PubChem CID 107466495) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-aminoanilino)-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2-aminoanilino)-3-methoxybenzonitrile
PubChem CID107466495
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(2-aminoanilino)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ccccc1N
InChIInChI=1S/C14H13N3O/c1-18-13-8-4-5-10(9-15)14(13)17-12-7-3-2-6-11(12)16/h2-8,17H,16H2,1H3
InChIKeySUGHBXCOOGFZAI-UHFFFAOYSA-N
XLogP2.89
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-chloroanilino)-3-methoxybenzonitrile
CID 107466457
2-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454
2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
CID 107927968
2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile
CID 155289999
2-[(5-aminopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107466532
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-3-methoxybenzonitrile
CID 107466505
2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 107466443
2-(4-amino-3-ethoxyanilino)-3-methoxybenzonitrile
CID 107466512
2-amino-5-(2-cyano-6-methoxyanilino)benzamide
CID 107469623
2-(2-amino-6-methylanilino)benzonitrile
CID 113333675
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-3-methoxybenzonitrile
CID 107468954

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoanilino)-3-methoxybenzonitrile?
The IUPAC name of 2-(2-aminoanilino)-3-methoxybenzonitrile (CID 107466495) is 2-(2-aminoanilino)-3-methoxybenzonitrile.
What is the SMILES notation for 2-(2-aminoanilino)-3-methoxybenzonitrile?
The canonical SMILES for 2-(2-aminoanilino)-3-methoxybenzonitrile is COc1cccc(C#N)c1Nc1ccccc1N.
What is the InChIKey of 2-(2-aminoanilino)-3-methoxybenzonitrile?
The InChIKey is SUGHBXCOOGFZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-13-8-4-5-10(9-15)14(13)17-12-7-3-2-6-11(12)16/h2-8,17H,16H2,1H3.
What are the key properties of 2-(2-aminoanilino)-3-methoxybenzonitrile?
2-(2-aminoanilino)-3-methoxybenzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoanilino)-3-methoxybenzonitrile is sourced from PubChem (CID 107466495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).