1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine

C17H16ClNS — CID 63507542

IUPAC1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1csc2ccccc12
InChIInChI=1S/C17H16ClNS/c1-19-16(10-12-5-4-6-13(18)9-12)15-11-20-17-8-3-2-7-14(15)17/h2-9,11,16,19H,10H2,1H3
InChIKeyZAJWBZXIANCUDI-UHFFFAOYSA-N
MW301.84 g/mol
LogP5.06
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine

1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine (PubChem CID 63507542) has the molecular formula C17H16ClNS and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
PubChem CID63507542
Molecular FormulaC17H16ClNS
Molecular Weight301.84 g/mol
Exact Mass301.07
IUPAC Name1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1csc2ccccc12
InChIInChI=1S/C17H16ClNS/c1-19-16(10-12-5-4-6-13(18)9-12)15-11-20-17-8-3-2-7-14(15)17/h2-9,11,16,19H,10H2,1H3
InChIKeyZAJWBZXIANCUDI-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

1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(3-chlorophenyl)-1-isoquinolin-4-yl-N-methylethanamine
CID 63940548
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
[1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286405
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
2-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 55187555
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497218

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine (CID 63507542) is 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is ZAJWBZXIANCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNS/c1-19-16(10-12-5-4-6-13(18)9-12)15-11-20-17-8-3-2-7-14(15)17/h2-9,11,16,19H,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine?
1-(1-benzothiophen-3-yl)-2-(3-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-3-yl)-2-(3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63507542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).