1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine

C15H11F2NS — CID 55101865

IUPAC1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
SMILESNC(c1cccc(F)c1F)c1csc2ccccc12
InChIInChI=1S/C15H11F2NS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15H,18H2
InChIKeyWQAIXZSKBFRHBD-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.23
Rot. Bonds2

About 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine

1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine (PubChem CID 55101865) has the molecular formula C15H11F2NS and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
PubChem CID55101865
Molecular FormulaC15H11F2NS
Molecular Weight275.32 g/mol
Exact Mass275.06
IUPAC Name1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
SMILESNC(c1cccc(F)c1F)c1csc2ccccc12
InChIInChI=1S/C15H11F2NS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15H,18H2
InChIKeyWQAIXZSKBFRHBD-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024860
1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
CID 105038149
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
CID 105021781
1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol
CID 65148709
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
CID 105052203
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine (CID 55101865) is 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine is NC(c1cccc(F)c1F)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine?
The InChIKey is WQAIXZSKBFRHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15H,18H2.
What are the key properties of 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine?
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine has a molecular weight of 275.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 55101865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).