1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine

C14H11FN2S — CID 105038149

IUPAC1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1csc2ccccc12
InChIInChI=1S/C14H11FN2S/c15-12-7-17-6-5-10(12)14(16)11-8-18-13-4-2-1-3-9(11)13/h1-8,14H,16H2
InChIKeyYHFUEVCUDDETGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.48
Rot. Bonds2

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

1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 105038149) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
PubChem CID105038149
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1csc2ccccc12
InChIInChI=1S/C14H11FN2S/c15-12-7-17-6-5-10(12)14(16)11-8-18-13-4-2-1-3-9(11)13/h1-8,14H,16H2
InChIKeyYHFUEVCUDDETGW-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105181986
1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024860
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707292
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine (CID 105038149) is 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine is NC(c1ccncc1F)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is YHFUEVCUDDETGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-12-7-17-6-5-10(12)14(16)11-8-18-13-4-2-1-3-9(11)13/h1-8,14H,16H2.
What are the key properties of 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine?
1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 105038149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).