1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine

C17H16ClNS — CID 63527021

IUPAC1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C17H16ClNS/c1-19-15(10-12-6-2-4-8-14(12)18)17-11-13-7-3-5-9-16(13)20-17/h2-9,11,15,19H,10H2,1H3
InChIKeyDFMSVZGNIABNOZ-UHFFFAOYSA-N
MW301.84 g/mol
LogP5.06
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine

1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine (PubChem CID 63527021) has the molecular formula C17H16ClNS and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
PubChem CID63527021
Molecular FormulaC17H16ClNS
Molecular Weight301.84 g/mol
Exact Mass301.07
IUPAC Name1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C17H16ClNS/c1-19-15(10-12-6-2-4-8-14(12)18)17-11-13-7-3-5-9-16(13)20-17/h2-9,11,15,19H,10H2,1H3
InChIKeyDFMSVZGNIABNOZ-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800832
[1-(1-benzothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868587
[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295198
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122345
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 114909675
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine (CID 63527021) is 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is DFMSVZGNIABNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNS/c1-19-15(10-12-6-2-4-8-14(12)18)17-11-13-7-3-5-9-16(13)20-17/h2-9,11,15,19H,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine?
1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 301.84 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63527021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).