2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine

C17H15ClFNS — CID 105096573

IUPAC2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H15ClFNS/c1-20-15(9-11-4-2-3-5-14(11)18)17-10-12-8-13(19)6-7-16(12)21-17/h2-8,10,15,20H,9H2,1H3
InChIKeyUKVYXVKKSQJRMX-UHFFFAOYSA-N
MW319.83 g/mol
LogP5.20
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine

2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 105096573) has the molecular formula C17H15ClFNS and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID105096573
Molecular FormulaC17H15ClFNS
Molecular Weight319.83 g/mol
Exact Mass319.06
IUPAC Name2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H15ClFNS/c1-20-15(9-11-4-2-3-5-14(11)18)17-10-12-8-13(19)6-7-16(12)21-17/h2-8,10,15,20H,9H2,1H3
InChIKeyUKVYXVKKSQJRMX-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.83
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine 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

1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295198
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
CID 81104818
[1-(1-benzothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868587
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine
CID 105153215
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 80531040
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 107361879

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine (CID 105096573) is 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is UKVYXVKKSQJRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNS/c1-20-15(9-11-4-2-3-5-14(11)18)17-10-12-8-13(19)6-7-16(12)21-17/h2-8,10,15,20H,9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine?
2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 319.83 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105096573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).