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

C19H24ClN — CID 105099934

IUPAC1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(17-10-6-7-11-18(17)20)13-12-16-9-5-4-8-15(16)2/h4-11,19,21H,3,12-14H2,1-2H3
InChIKeyKJRBHHYJAOWQJO-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.32
Rot. Bonds7

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

1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine (PubChem CID 105099934) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
PubChem CID105099934
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(17-10-6-7-11-18(17)20)13-12-16-9-5-4-8-15(16)2/h4-11,19,21H,3,12-14H2,1-2H3
InChIKeyKJRBHHYJAOWQJO-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-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105173534
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105146793
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
CID 63420157

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine (CID 105099934) is 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCc1ccccc1C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is KJRBHHYJAOWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-14-21-19(17-10-6-7-11-18(17)20)13-12-16-9-5-4-8-15(16)2/h4-11,19,21H,3,12-14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
1-(2-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-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 105099934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).