N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine

C18H22ClN — CID 81366439

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
SMILESCC(CCN[C@@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-14(16-7-4-3-5-8-16)11-12-20-15(2)17-9-6-10-18(19)13-17/h3-10,13-15,20H,11-12H2,1-2H3/t14?,15-/m0/s1
InChIKeyGSVZQDVDHUKUTQ-LOACHALJSA-N
MW287.83 g/mol
LogP5.18
Rot. Bonds6

About N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine (PubChem CID 81366439) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
PubChem CID81366439
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
SMILESCC(CCN[C@@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-14(16-7-4-3-5-8-16)11-12-20-15(2)17-9-6-10-18(19)13-17/h3-10,13-15,20H,11-12H2,1-2H3/t14?,15-/m0/s1
InChIKeyGSVZQDVDHUKUTQ-LOACHALJSA-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

Analyze N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-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-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63420298
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
N-[1-(2,5-dichlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63463879
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine
CID 63477151
(1S)-1-(3-chlorophenyl)-N-(2-ethylsulfanylethyl)ethanamine
CID 104863374
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine (CID 81366439) is N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine is CC(CCN[C@@H](C)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine?
The InChIKey is GSVZQDVDHUKUTQ-LOACHALJSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14(16-7-4-3-5-8-16)11-12-20-15(2)17-9-6-10-18(19)13-17/h3-10,13-15,20H,11-12H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-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 N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 81366439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).