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

C19H22N2 — CID 114480165

IUPAC3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2/c1-14(2)18-7-4-16(5-8-18)12-21-13-19-9-6-17(11-20)10-15(19)3/h4-10,14,21H,12-13H2,1-3H3
InChIKeySVJQAELPMNDXSW-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.28
Rot. Bonds5

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

3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile (PubChem CID 114480165) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
PubChem CID114480165
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2/c1-14(2)18-7-4-16(5-8-18)12-21-13-19-9-6-17(11-20)10-15(19)3/h4-10,14,21H,12-13H2,1-3H3
InChIKeySVJQAELPMNDXSW-UHFFFAOYSA-N
XLogP4.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]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-[[(4-fluorophenyl)methylamino]methyl]-3-methylbenzonitrile
CID 114479694
3-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
CID 60756462
4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-methylbenzonitrile
CID 114480280
4-[(but-3-yn-2-ylamino)methyl]-3-methylbenzonitrile
CID 114480876
4-[[(3-methoxyphenyl)methylamino]methyl]-3-methylbenzonitrile
CID 114479910
4-[(2-aminoethylamino)methyl]-3-methylbenzonitrile
CID 114480201
4-(butylaminomethyl)-3-methylbenzonitrile
CID 114479615
4-[[4-(ethylaminomethyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114479463
4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzonitrile
CID 114479854
3-methyl-4-[(4-phenylbutan-2-ylamino)methyl]benzonitrile
CID 114480136
4-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-3-methylbenzonitrile
CID 104930100
4-[[(3-chloro-4-methylphenyl)methylamino]methyl]benzonitrile
CID 106816587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile (CID 114480165) is 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile is Cc1cc(C#N)ccc1CNCc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile?
The InChIKey is SVJQAELPMNDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14(2)18-7-4-16(5-8-18)12-21-13-19-9-6-17(11-20)10-15(19)3/h4-10,14,21H,12-13H2,1-3H3.
What are the key properties of 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile?
3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile has a molecular weight of 278.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 114480165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).