(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine

C15H13FN2S — CID 105006430

IUPAC(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H13FN2S/c1-9-4-5-18-8-12(9)15(17)14-6-10-2-3-11(16)7-13(10)19-14/h2-8,15H,17H2,1H3
InChIKeyCSKURGSUHYLLRG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.79
Rot. Bonds2

About (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine

(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine (PubChem CID 105006430) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
PubChem CID105006430
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H13FN2S/c1-9-4-5-18-8-12(9)15(17)14-6-10-2-3-11(16)7-13(10)19-14/h2-8,15H,17H2,1H3
InChIKeyCSKURGSUHYLLRG-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105038390
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135081
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539
(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine (CID 105006430) is (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is CSKURGSUHYLLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-9-4-5-18-8-12(9)15(17)14-6-10-2-3-11(16)7-13(10)19-14/h2-8,15H,17H2,1H3.
What are the key properties of (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 272.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105006430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).