(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine

C12H11F2NS — CID 102831759

IUPAC(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NS/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-6,12H,15H2,1H3
InChIKeyLZGNPQJWSONXFI-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.38
Rot. Bonds2

About (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine

(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102831759) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102831759
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NS/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-6,12H,15H2,1H3
InChIKeyLZGNPQJWSONXFI-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 43119710
(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102834092
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 102842698
[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842754
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102831967
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine
CID 102834395
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine (CID 102831759) is (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine is Cc1sccc1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is LZGNPQJWSONXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-6,12H,15H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine?
(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 239.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102831759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).