3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine

C19H24ClN — CID 104845559

IUPAC3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-13-21-19(17-7-5-4-6-8-17)15(2)14-16-9-11-18(20)12-10-16/h4-12,15,19,21H,3,13-14H2,1-2H3
InChIKeyIWTURQRPRWQPQO-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.26
Rot. Bonds7

About 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine

3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine (PubChem CID 104845559) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
PubChem CID104845559
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-13-21-19(17-7-5-4-6-8-17)15(2)14-16-9-11-18(20)12-10-16/h4-12,15,19,21H,3,13-14H2,1-2H3
InChIKeyIWTURQRPRWQPQO-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-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

3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
CID 114246234
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine (CID 104845559) is 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The InChIKey is IWTURQRPRWQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-13-21-19(17-7-5-4-6-8-17)15(2)14-16-9-11-18(20)12-10-16/h4-12,15,19,21H,3,13-14H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 104845559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).