1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine

C16H18ClN — CID 61227636

IUPAC1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN/c1-3-16(18-2)13-9-7-12(8-10-13)14-5-4-6-15(17)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyDAAUGDKBPDQBQR-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.68
Rot. Bonds4

About 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine

1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 61227636) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
PubChem CID61227636
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN/c1-3-16(18-2)13-9-7-12(8-10-13)14-5-4-6-15(17)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyDAAUGDKBPDQBQR-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
CID 105350097
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
3-[3-[1-(methylamino)propyl]phenyl]benzonitrile
CID 54911796

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine (CID 61227636) is 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is DAAUGDKBPDQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-3-16(18-2)13-9-7-12(8-10-13)14-5-4-6-15(17)11-14/h4-11,16,18H,3H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine?
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61227636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).