4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine

C19H24ClN — CID 64502036

IUPAC4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-2-15-21-19(17-8-4-3-5-9-17)10-6-7-16-11-13-18(20)14-12-16/h3-5,8-9,11-14,19,21H,2,6-7,10,15H2,1H3
InChIKeyGGCIRCWUGQBVQL-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.40
Rot. Bonds8

About 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine

4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine (PubChem CID 64502036) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
PubChem CID64502036
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-2-15-21-19(17-8-4-3-5-9-17)10-6-7-16-11-13-18(20)14-12-16/h3-5,8-9,11-14,19,21H,2,6-7,10,15H2,1H3
InChIKeyGGCIRCWUGQBVQL-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine 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

1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 103405798
1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43496397
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine (CID 64502036) is 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine is CCCNC(CCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine?
The InChIKey is GGCIRCWUGQBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-2-15-21-19(17-8-4-3-5-9-17)10-6-7-16-11-13-18(20)14-12-16/h3-5,8-9,11-14,19,21H,2,6-7,10,15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine?
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 64502036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).