(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine

C12H11F2NS — CID 79802254

IUPAC(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NS/c1-7-5-16-6-10(7)12(15)9-4-8(13)2-3-11(9)14/h2-6,12H,15H2,1H3
InChIKeyCEDUEWNLAPBXSE-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.38
Rot. Bonds2

About (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine

(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine (PubChem CID 79802254) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
PubChem CID79802254
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NS/c1-7-5-16-6-10(7)12(15)9-4-8(13)2-3-11(9)14/h2-6,12H,15H2,1H3
InChIKeyCEDUEWNLAPBXSE-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

(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
3-[chloro-(2,4-difluorophenyl)methyl]-4-methylthiophene
CID 79807495
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
3-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-4-methylthiophene
CID 79807936
2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79803199
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2,5-difluorophenyl)-(2-methyl-4-pyridinyl)methanamine
CID 106755257

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine (CID 79802254) is (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine is Cc1cscc1C(N)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine?
The InChIKey is CEDUEWNLAPBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-7-5-16-6-10(7)12(15)9-4-8(13)2-3-11(9)14/h2-6,12H,15H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine?
(2,5-difluorophenyl)-(4-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 (2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 79802254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).