3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile

C15H22N2O2 — CID 54943422

IUPAC3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile
SMILESCCN(Cc1ccc(OC)c(OC)c1)CC(C)C#N
InChIInChI=1S/C15H22N2O2/c1-5-17(10-12(2)9-16)11-13-6-7-14(18-3)15(8-13)19-4/h6-8,12H,5,10-11H2,1-4H3
InChIKeyMOQYJSAFJTYJEU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.69
Rot. Bonds7

About 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile

3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile (PubChem CID 54943422) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile
PubChem CID54943422
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile
SMILESCCN(Cc1ccc(OC)c(OC)c1)CC(C)C#N
InChIInChI=1S/C15H22N2O2/c1-5-17(10-12(2)9-16)11-13-6-7-14(18-3)15(8-13)19-4/h6-8,12H,5,10-11H2,1-4H3
InChIKeyMOQYJSAFJTYJEU-UHFFFAOYSA-N
XLogP2.69
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-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

(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
3-[[(3,4-dimethoxyphenyl)methyl-ethylamino]methyl]benzonitrile
CID 32661982
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol
CID 47092518
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 43242740
1-[(3,4-dimethoxyphenyl)methyl-(3-methylbutyl)amino]butan-2-ol
CID 46006960
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577
1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 24714459
3-[(2-amino-5-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54988129

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile (CID 54943422) is 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile is CCN(Cc1ccc(OC)c(OC)c1)CC(C)C#N.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile?
The InChIKey is MOQYJSAFJTYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-17(10-12(2)9-16)11-13-6-7-14(18-3)15(8-13)19-4/h6-8,12H,5,10-11H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile?
3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 54943422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).