1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine

C19H24ClN — CID 105076565

IUPAC1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(17-8-11-18(20)12-9-17)13-10-16-7-5-4-6-15(16)2/h4-9,11-12,19,21H,3,10,13-14H2,1-2H3
InChIKeyUURSACKBLBRJBJ-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.32
Rot. Bonds7

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

1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine (PubChem CID 105076565) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
PubChem CID105076565
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(17-8-11-18(20)12-9-17)13-10-16-7-5-4-6-15(16)2/h4-9,11-12,19,21H,3,10,13-14H2,1-2H3
InChIKeyUURSACKBLBRJBJ-UHFFFAOYSA-N
XLogP5.32
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 ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
CID 63450778
1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105146793
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105173534
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine (CID 105076565) is 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCc1ccccc1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is UURSACKBLBRJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-14-21-19(17-8-11-18(20)12-9-17)13-10-16-7-5-4-6-15(16)2/h4-9,11-12,19,21H,3,10,13-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 105076565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).