(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine

C18H20ClN — CID 81366288

IUPAC(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
SMILESC[C@H](NC(c1ccccc1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN/c1-13(16-8-5-9-17(19)12-16)20-18(15-10-11-15)14-6-3-2-4-7-14/h2-9,12-13,15,18,20H,10-11H2,1H3/t13-,18?/m0/s1
InChIKeyRLBPUOBZLNRNQY-FVRDMJKUSA-N
MW285.82 g/mol
LogP5.14
Rot. Bonds5

About (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine (PubChem CID 81366288) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
PubChem CID81366288
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
SMILESC[C@H](NC(c1ccccc1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN/c1-13(16-8-5-9-17(19)12-16)20-18(15-10-11-15)14-6-3-2-4-7-14/h2-9,12-13,15,18,20H,10-11H2,1H3/t13-,18?/m0/s1
InChIKeyRLBPUOBZLNRNQY-FVRDMJKUSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine 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-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
CID 119164758
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
CID 62091573
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine (CID 81366288) is (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine is C[C@H](NC(c1ccccc1)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
The InChIKey is RLBPUOBZLNRNQY-FVRDMJKUSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13(16-8-5-9-17(19)12-16)20-18(15-10-11-15)14-6-3-2-4-7-14/h2-9,12-13,15,18,20H,10-11H2,1H3/t13-,18?/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine has a molecular weight of 285.82 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine is sourced from PubChem (CID 81366288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).