1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine

C18H22ClN — CID 43096371

IUPAC1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
SMILESCCC(NCC(C)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-18(16-10-7-11-17(19)12-16)20-13-14(2)15-8-5-4-6-9-15/h4-12,14,18,20H,3,13H2,1-2H3
InChIKeyDJVHKOZHZVKNDC-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.18
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine

1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine (PubChem CID 43096371) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
PubChem CID43096371
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
SMILESCCC(NCC(C)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-18(16-10-7-11-17(19)12-16)20-13-14(2)15-8-5-4-6-9-15/h4-12,14,18,20H,3,13H2,1-2H3
InChIKeyDJVHKOZHZVKNDC-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
CID 115668066
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43104352
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine (CID 43096371) is 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine is CCC(NCC(C)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine?
The InChIKey is DJVHKOZHZVKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-18(16-10-7-11-17(19)12-16)20-13-14(2)15-8-5-4-6-9-15/h4-12,14,18,20H,3,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine?
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine is sourced from PubChem (CID 43096371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).