(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine

C17H16ClNS — CID 81353422

IUPAC(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1csc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNS/c1-12(13-6-8-15(18)9-7-13)19-10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11-12,19H,10H2,1H3/t12-/m1/s1
InChIKeyYRTHCFCGPOEIMB-GFCCVEGCSA-N
MW301.84 g/mol
LogP5.41
Rot. Bonds4

About (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine

(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine (PubChem CID 81353422) has the molecular formula C17H16ClNS and a molecular weight of 301.84 g/mol. Its IUPAC name is (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
PubChem CID81353422
Molecular FormulaC17H16ClNS
Molecular Weight301.84 g/mol
Exact Mass301.07
IUPAC Name(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1csc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNS/c1-12(13-6-8-15(18)9-7-13)19-10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11-12,19H,10H2,1H3/t12-/m1/s1
InChIKeyYRTHCFCGPOEIMB-GFCCVEGCSA-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

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Related Compounds

(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 78921839
(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
CID 81365962
N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 113339139
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944902
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
N-(1-benzothiophen-3-ylmethyl)pent-4-en-2-amine
CID 115633123
3-[3-bromo-2-(4-chlorophenyl)propyl]-1-benzothiophene
CID 79434965
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62697930

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine (CID 81353422) is (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine is C[C@@H](NCc1csc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine?
The InChIKey is YRTHCFCGPOEIMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClNS/c1-12(13-6-8-15(18)9-7-13)19-10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11-12,19H,10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine?
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-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 (1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 81353422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).