2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile

C18H20N2 — CID 79471754

IUPAC2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile
SMILESCc1ccccc1C(NCC(C)C#N)c1ccccc1
InChIInChI=1S/C18H20N2/c1-14(12-19)13-20-18(16-9-4-3-5-10-16)17-11-7-6-8-15(17)2/h3-11,14,18,20H,13H2,1-2H3
InChIKeyMPWQDYXYTAXMQA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.83
Rot. Bonds5

About 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile

2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile (PubChem CID 79471754) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile
PubChem CID79471754
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile
SMILESCc1ccccc1C(NCC(C)C#N)c1ccccc1
InChIInChI=1S/C18H20N2/c1-14(12-19)13-20-18(16-9-4-3-5-10-16)17-11-7-6-8-15(17)2/h3-11,14,18,20H,13H2,1-2H3
InChIKeyMPWQDYXYTAXMQA-UHFFFAOYSA-N
XLogP3.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]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-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
CID 60647997
1-cyclopropyl-2-[[(2-methylphenyl)-phenylmethyl]amino]ethanol
CID 79481070
2-hydroxy-3-[[(2-methylphenyl)-phenylmethyl]amino]propanamide
CID 106171878
N-methyl-2-[[(2-methylphenyl)-phenylmethyl]amino]acetamide
CID 78913864
3-[(3,3-dimethyl-1-phenylbutyl)amino]-2-methylpropanenitrile
CID 62648165
(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile
CID 177499858
4-[[(2-methylphenyl)-phenylmethyl]amino]butanoic acid
CID 79481040
2-methyl-3-(2-methylphenyl)sulfanylpropanenitrile
CID 60890310
1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104585372
3-[1-(2-fluorophenyl)propylamino]-2-methylpropanenitrile
CID 112676990
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile (CID 79471754) is 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile is Cc1ccccc1C(NCC(C)C#N)c1ccccc1.
What is the InChIKey of 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile?
The InChIKey is MPWQDYXYTAXMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14(12-19)13-20-18(16-9-4-3-5-10-16)17-11-7-6-8-15(17)2/h3-11,14,18,20H,13H2,1-2H3.
What are the key properties of 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile?
2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile has a molecular weight of 264.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile is sourced from PubChem (CID 79471754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).