2-amino-2-(4-methoxyphenyl)propanenitrile

C10H12N2O — CID 16787695

IUPAC2-amino-2-(4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(C(C)(N)C#N)cc1
InChIInChI=1S/C10H12N2O/c1-10(12,7-11)8-3-5-9(13-2)6-4-8/h3-6H,12H2,1-2H3
InChIKeyNGUOZGLNNBLTAY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.39
Rot. Bonds2

About 2-amino-2-(4-methoxyphenyl)propanenitrile

2-amino-2-(4-methoxyphenyl)propanenitrile (PubChem CID 16787695) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-2-(4-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-(4-methoxyphenyl)propanenitrile
PubChem CID16787695
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-2-(4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(C(C)(N)C#N)cc1
InChIInChI=1S/C10H12N2O/c1-10(12,7-11)8-3-5-9(13-2)6-4-8/h3-6H,12H2,1-2H3
InChIKeyNGUOZGLNNBLTAY-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(4-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

2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
CID 16794106
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
2-amino-2-(4-phenylphenyl)propanenitrile
CID 16783156
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
CID 129389679
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
CID 102373172
CID 102373172
(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile
CID 134956914
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxyphenyl)propanenitrile?
The IUPAC name of 2-amino-2-(4-methoxyphenyl)propanenitrile (CID 16787695) is 2-amino-2-(4-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-amino-2-(4-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-amino-2-(4-methoxyphenyl)propanenitrile is COc1ccc(C(C)(N)C#N)cc1.
What is the InChIKey of 2-amino-2-(4-methoxyphenyl)propanenitrile?
The InChIKey is NGUOZGLNNBLTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(12,7-11)8-3-5-9(13-2)6-4-8/h3-6H,12H2,1-2H3.
What are the key properties of 2-amino-2-(4-methoxyphenyl)propanenitrile?
2-amino-2-(4-methoxyphenyl)propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxyphenyl)propanenitrile is sourced from PubChem (CID 16787695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).