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

C12H11F2NS — CID 43464212

IUPAC(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1ccc(F)cc1F
InChIInChI=1S/C12H11F2NS/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11H,15H2,1H3
InChIKeySHPKGVXYPDTFSG-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.38
Rot. Bonds2

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

(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 43464212) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID43464212
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1ccc(F)cc1F
InChIInChI=1S/C12H11F2NS/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11H,15H2,1H3
InChIKeySHPKGVXYPDTFSG-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-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43384383
(2,4-difluorophenyl)methanediamine
CID 116939170

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine (CID 43464212) is (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is SHPKGVXYPDTFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11H,15H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine?
(2,4-difluorophenyl)-(3-methylthiophen-2-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 (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43464212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).