4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile

C19H22N2 — CID 63476911

IUPAC4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
SMILESCc1ccc(C#N)cc1NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2/c1-13(2)17-7-9-18(10-8-17)15(4)21-19-11-16(12-20)6-5-14(19)3/h5-11,13,15,21H,1-4H3
InChIKeyNHBOTQKOOYUZMO-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.16
Rot. Bonds4

About 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile

4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile (PubChem CID 63476911) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
PubChem CID63476911
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
SMILESCc1ccc(C#N)cc1NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2/c1-13(2)17-7-9-18(10-8-17)15(4)21-19-11-16(12-20)6-5-14(19)3/h5-11,13,15,21H,1-4H3
InChIKeyNHBOTQKOOYUZMO-UHFFFAOYSA-N
XLogP5.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile 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

4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
3-[1-(2,6-dihydroxyphenyl)ethylamino]-4-methylbenzonitrile
CID 107710910
4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
CID 43111374
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
3-(2,6-dimethylheptan-4-ylamino)-4-methylbenzonitrile
CID 63477609
4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
CID 63477258
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]-4-methylbenzonitrile
CID 62104639
4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 55037144
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
3-chloro-4-[1-(3,4-dichlorophenyl)ethylamino]benzonitrile
CID 107807205
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile?
The IUPAC name of 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile (CID 63476911) is 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile?
The canonical SMILES for 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile is Cc1ccc(C#N)cc1NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile?
The InChIKey is NHBOTQKOOYUZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13(2)17-7-9-18(10-8-17)15(4)21-19-11-16(12-20)6-5-14(19)3/h5-11,13,15,21H,1-4H3.
What are the key properties of 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile?
4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile has a molecular weight of 278.40 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 63476911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).