1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine

C17H15F2NS — CID 105087174

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H15F2NS/c1-20-15(8-11-2-4-13(18)5-3-11)17-10-12-9-14(19)6-7-16(12)21-17/h2-7,9-10,15,20H,8H2,1H3
InChIKeyDPEVWJYDUGBFBC-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.68
Rot. Bonds4

About 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine

1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 105087174) has the molecular formula C17H15F2NS and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID105087174
Molecular FormulaC17H15F2NS
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H15F2NS/c1-20-15(8-11-2-4-13(18)5-3-11)17-10-12-9-14(19)6-7-16(12)21-17/h2-7,9-10,15,20H,8H2,1H3
InChIKeyDPEVWJYDUGBFBC-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

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Related Compounds

2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 80532976
1-(5-fluoro-1-benzothiophen-2-yl)-N-methylhex-5-en-1-amine
CID 105153215
[1-(6-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283753
N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine
CID 105137624
[1-(5-fluoro-1-benzothiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285056
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030193
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034716
1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800832
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine (CID 105087174) is 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is DPEVWJYDUGBFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NS/c1-20-15(8-11-2-4-13(18)5-3-11)17-10-12-9-14(19)6-7-16(12)21-17/h2-7,9-10,15,20H,8H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-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-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105087174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).