3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile

C19H22N2 — CID 60918212

IUPAC3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile
SMILESCCCc1ccc(C(C)NCc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H22N2/c1-3-5-16-8-10-19(11-9-16)15(2)21-14-18-7-4-6-17(12-18)13-20/h4,6-12,15,21H,3,5,14H2,1-2H3
InChIKeyCOLRSPJVKHTHCW-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.36
Rot. Bonds6

About 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile

3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile (PubChem CID 60918212) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile
PubChem CID60918212
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile
SMILESCCCc1ccc(C(C)NCc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H22N2/c1-3-5-16-8-10-19(11-9-16)15(2)21-14-18-7-4-6-17(12-18)13-20/h4,6-12,15,21H,3,5,14H2,1-2H3
InChIKeyCOLRSPJVKHTHCW-UHFFFAOYSA-N
XLogP4.36
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(4-propylphenyl)ethylamino]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

3-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]benzonitrile
CID 42955451
N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 60871822
3-propylbenzonitrile
CID 18415311
4-[1-[(3-fluorophenyl)methylamino]ethyl]benzonitrile
CID 43123252
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzonitrile
CID 60919228
3-[(hexan-2-ylamino)methyl]benzonitrile
CID 60918563
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
3-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
CID 60756462
3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
CID 43401833
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
3-[4-[1-(ethylamino)ethyl]phenyl]benzonitrile
CID 54912076

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile?
The IUPAC name of 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile (CID 60918212) is 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile is CCCc1ccc(C(C)NCc2cccc(C#N)c2)cc1.
What is the InChIKey of 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile?
The InChIKey is COLRSPJVKHTHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-5-16-8-10-19(11-9-16)15(2)21-14-18-7-4-6-17(12-18)13-20/h4,6-12,15,21H,3,5,14H2,1-2H3.
What are the key properties of 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile?
3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile has a molecular weight of 278.40 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile is sourced from PubChem (CID 60918212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).