1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine

C19H24ClN — CID 107102031

IUPAC1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(13-12-16-8-5-4-6-9-16)17-10-7-11-18(20)15(17)2/h4-11,19,21H,3,12-14H2,1-2H3
InChIKeyPXYJVBLGLOYESS-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.32
Rot. Bonds7

About 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine

1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 107102031) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
PubChem CID107102031
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(13-12-16-8-5-4-6-9-16)17-10-7-11-18(20)15(17)2/h4-11,19,21H,3,12-14H2,1-2H3
InChIKeyPXYJVBLGLOYESS-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-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
CID 63420157
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105141906
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine (CID 107102031) is 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is PXYJVBLGLOYESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-14-21-19(13-12-16-8-5-4-6-9-16)17-10-7-11-18(20)15(17)2/h4-11,19,21H,3,12-14H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
1-(3-chloro-2-methylphenyl)-3-phenyl-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-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 107102031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).