1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

C15H12F2N2S — CID 105038390

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cc2ccc(F)cc2s1)c1ccncc1F
InChIInChI=1S/C15H12F2N2S/c1-18-15(11-4-5-19-8-12(11)17)14-6-9-2-3-10(16)7-13(9)20-14/h2-8,15,18H,1H3
InChIKeyXHFCUTJFCQUDLG-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.88
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (PubChem CID 105038390) has the molecular formula C15H12F2N2S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
PubChem CID105038390
Molecular FormulaC15H12F2N2S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cc2ccc(F)cc2s1)c1ccncc1F
InChIInChI=1S/C15H12F2N2S/c1-18-15(11-4-5-19-8-12(11)17)14-6-9-2-3-10(16)7-13(9)20-14/h2-8,15,18H,1H3
InChIKeyXHFCUTJFCQUDLG-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 105397335
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 115801543
(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006430
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
1-(5-bromo-4-methylthiophen-2-yl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 81105147
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034716
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105181850
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143264
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093655
1-(2,4-difluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065529

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (CID 105038390) is 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is CNC(c1cc2ccc(F)cc2s1)c1ccncc1F.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The InChIKey is XHFCUTJFCQUDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2S/c1-18-15(11-4-5-19-8-12(11)17)14-6-9-2-3-10(16)7-13(9)20-14/h2-8,15,18H,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine has a molecular weight of 290.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105038390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).