2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile

C11H14N2O — CID 14989929

IUPAC2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1ccc(CC(C)(N)C#N)cc1
InChIInChI=1S/C11H14N2O/c1-11(13,8-12)7-9-3-5-10(14-2)6-4-9/h3-6H,7,13H2,1-2H3
InChIKeyLJMNZJZZESACIJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile

2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile (PubChem CID 14989929) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
PubChem CID14989929
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1ccc(CC(C)(N)C#N)cc1
InChIInChI=1S/C11H14N2O/c1-11(13,8-12)7-9-3-5-10(14-2)6-4-9/h3-6H,7,13H2,1-2H3
InChIKeyLJMNZJZZESACIJ-UHFFFAOYSA-N
XLogP1.48
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile 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-3-(4-chlorophenyl)-2-methylpropanenitrile
CID 82076008
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
CID 129389679
3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
CID 79129241
(2S)-2-amino-3-(2,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
CID 141395494
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
2-amino-2-(4-methoxyphenyl)propanenitrile
CID 16787695
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
3-(4-methoxyphenyl)-2-methyl-2-(prop-2-enylamino)propanenitrile
CID 55167183

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile (CID 14989929) is 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile is COc1ccc(CC(C)(N)C#N)cc1.
What is the InChIKey of 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile?
The InChIKey is LJMNZJZZESACIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(13,8-12)7-9-3-5-10(14-2)6-4-9/h3-6H,7,13H2,1-2H3.
What are the key properties of 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile?
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 14989929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).