1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

C17H15F2NS — CID 115852529

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccc(F)cc2s1)c1ccc(F)cc1C
InChIInChI=1S/C17H15F2NS/c1-10-7-12(18)5-6-14(10)17(20-2)16-8-11-3-4-13(19)9-15(11)21-16/h3-9,17,20H,1-2H3
InChIKeyGWXLNHZQAPOVNC-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.80
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 115852529) has the molecular formula C17H15F2NS and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID115852529
Molecular FormulaC17H15F2NS
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccc(F)cc2s1)c1ccc(F)cc1C
InChIInChI=1S/C17H15F2NS/c1-10-7-12(18)5-6-14(10)17(20-2)16-8-11-3-4-13(19)9-15(11)21-16/h3-9,17,20H,1-2H3
InChIKeyGWXLNHZQAPOVNC-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 105397335
1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 115801543
1-(5-bromo-4-methylthiophen-2-yl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 81105147
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459
1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105038390
[1-benzothiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302449
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115852483
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105142882
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143264

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (CID 115852529) is 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is CNC(c1cc2ccc(F)cc2s1)c1ccc(F)cc1C.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is GWXLNHZQAPOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NS/c1-10-7-12(18)5-6-14(10)17(20-2)16-8-11-3-4-13(19)9-15(11)21-16/h3-9,17,20H,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 303.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115852529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).