(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine

C17H16ClNS — CID 81365962

IUPAC(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
SMILESC[C@H](NCc1csc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNS/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,19H,10H2,1H3/t12-/m0/s1
InChIKeyHWNGZNKSDCCKGO-LBPRGKRZSA-N
MW301.84 g/mol
LogP5.41
Rot. Bonds4

About (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine

(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine (PubChem CID 81365962) has the molecular formula C17H16ClNS and a molecular weight of 301.84 g/mol. Its IUPAC name is (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
PubChem CID81365962
Molecular FormulaC17H16ClNS
Molecular Weight301.84 g/mol
Exact Mass301.07
IUPAC Name(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
SMILESC[C@H](NCc1csc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNS/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,19H,10H2,1H3/t12-/m0/s1
InChIKeyHWNGZNKSDCCKGO-LBPRGKRZSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.84
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)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

(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
CID 81353422
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 78921839
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 113339139
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine (CID 81365962) is (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine is C[C@H](NCc1csc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine?
The InChIKey is HWNGZNKSDCCKGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16ClNS/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,19H,10H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine?
(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine has a molecular weight of 301.84 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 81365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).