1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine

C17H15F2NS — CID 115810512

IUPAC1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cc2ccccc2s1
InChIInChI=1S/C17H15F2NS/c1-20-15(9-12-8-13(18)6-7-14(12)19)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,15,20H,9H2,1H3
InChIKeyJZMQNXLACRZFCH-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.68
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine

1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 115810512) has the molecular formula C17H15F2NS and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID115810512
Molecular FormulaC17H15F2NS
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cc2ccccc2s1
InChIInChI=1S/C17H15F2NS/c1-20-15(9-12-8-13(18)6-7-14(12)19)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,15,20H,9H2,1H3
InChIKeyJZMQNXLACRZFCH-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-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

2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295198
1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800832
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
2-(2,5-difluorophenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105105424
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
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-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine (CID 115810512) is 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is JZMQNXLACRZFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NS/c1-20-15(9-12-8-13(18)6-7-14(12)19)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,15,20H,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine?
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 303.38 g/mol, XLogP of 4.68, 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-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115810512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).