2-(2-amino-5-methoxyphenyl)propanenitrile

C10H12N2O — CID 10464838

IUPAC2-(2-amino-5-methoxyphenyl)propanenitrile
SMILESCOc1ccc(N)c(C(C)C#N)c1
InChIInChI=1S/C10H12N2O/c1-7(6-11)9-5-8(13-2)3-4-10(9)12/h3-5,7H,12H2,1-2H3
InChIKeyIKQXQTZMJBPCNX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-amino-5-methoxyphenyl)propanenitrile

2-(2-amino-5-methoxyphenyl)propanenitrile (PubChem CID 10464838) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)propanenitrile
PubChem CID10464838
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(2-amino-5-methoxyphenyl)propanenitrile
SMILESCOc1ccc(N)c(C(C)C#N)c1
InChIInChI=1S/C10H12N2O/c1-7(6-11)9-5-8(13-2)3-4-10(9)12/h3-5,7H,12H2,1-2H3
InChIKeyIKQXQTZMJBPCNX-UHFFFAOYSA-N
XLogP1.90
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-methoxyphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(2-amino-5-methoxyphenyl)propanenitrile
CID 130625338
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
2-(2-amino-5-methoxyphenyl)sulfanylpropanenitrile
CID 79518067
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
2-(2-aminophenyl)propanenitrile
CID 20509311
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
2-(1-iodoethyl)-5-methoxyaniline
CID 170370937
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile
CID 126971863

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)propanenitrile (CID 10464838) is 2-(2-amino-5-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)propanenitrile is COc1ccc(N)c(C(C)C#N)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)propanenitrile?
The InChIKey is IKQXQTZMJBPCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(6-11)9-5-8(13-2)3-4-10(9)12/h3-5,7H,12H2,1-2H3.
What are the key properties of 2-(2-amino-5-methoxyphenyl)propanenitrile?
2-(2-amino-5-methoxyphenyl)propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)propanenitrile is sourced from PubChem (CID 10464838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).