2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile

C12H16N2O — CID 82076974

IUPAC2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile
SMILESCOc1cccc(CC(C#N)N(C)C)c1
InChIInChI=1S/C12H16N2O/c1-14(2)11(9-13)7-10-5-4-6-12(8-10)15-3/h4-6,8,11H,7H2,1-3H3
InChIKeyJZYIARGSDKACSU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.69
Rot. Bonds4

About 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile

2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile (PubChem CID 82076974) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile
PubChem CID82076974
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile
SMILESCOc1cccc(CC(C#N)N(C)C)c1
InChIInChI=1S/C12H16N2O/c1-14(2)11(9-13)7-10-5-4-6-12(8-10)15-3/h4-6,8,11H,7H2,1-3H3
InChIKeyJZYIARGSDKACSU-UHFFFAOYSA-N
XLogP1.69
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-3-(3-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-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
CID 82115986
2-[(3-methoxyphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 115129500
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 141033426
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
4-[1-cyano-2-(3-methoxyphenyl)ethyl]benzoic acid
CID 82141126
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile (CID 82076974) is 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile is COc1cccc(CC(C#N)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile?
The InChIKey is JZYIARGSDKACSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)11(9-13)7-10-5-4-6-12(8-10)15-3/h4-6,8,11H,7H2,1-3H3.
What are the key properties of 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile?
2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile has a molecular weight of 204.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82076974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).