1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine

C18H22ClN — CID 65025981

IUPAC1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
SMILESClCC(Cc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C18H22ClN/c19-15-18(14-17-10-5-2-6-11-17)20-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18,20H,7,12-15H2
InChIKeyZHBNCSOUNFVSDN-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.06
Rot. Bonds8

About 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine

1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine (PubChem CID 65025981) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
PubChem CID65025981
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
SMILESClCC(Cc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C18H22ClN/c19-15-18(14-17-10-5-2-6-11-17)20-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18,20H,7,12-15H2
InChIKeyZHBNCSOUNFVSDN-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine
CID 65025592
1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
CID 65025528
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
N-[2-(4-bromophenoxy)ethyl]-1-chloro-3-phenylpropan-2-amine
CID 65025362
4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine
CID 114334751
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
1-chloro-N-[(3-chlorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025931
1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
CID 106353921
N-[(2-bromophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65026156
4-chloro-1-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 114150757

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine?
The IUPAC name of 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine (CID 65025981) is 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine.
What is the SMILES notation for 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine?
The canonical SMILES for 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine is ClCC(Cc1ccccc1)NCCCc1ccccc1.
What is the InChIKey of 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine?
The InChIKey is ZHBNCSOUNFVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c19-15-18(14-17-10-5-2-6-11-17)20-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18,20H,7,12-15H2.
What are the key properties of 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine?
1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine is sourced from PubChem (CID 65025981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).