(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine

C14H14F3NS — CID 81157473

IUPAC(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C)c(C(N)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3NS/c1-8-6-9(2)19-13(8)12(18)10-4-3-5-11(7-10)14(15,16)17/h3-7,12H,18H2,1-2H3
InChIKeyLTETZSMWDQHULL-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.43
Rot. Bonds2

About (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine

(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 81157473) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID81157473
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C)c(C(N)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3NS/c1-8-6-9(2)19-13(8)12(18)10-4-3-5-11(7-10)14(15,16)17/h3-7,12H,18H2,1-2H3
InChIKeyLTETZSMWDQHULL-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 103405830
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105141412
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(4-bromo-3-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81290487

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 81157473) is (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine is Cc1cc(C)c(C(N)c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LTETZSMWDQHULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-8-6-9(2)19-13(8)12(18)10-4-3-5-11(7-10)14(15,16)17/h3-7,12H,18H2,1-2H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 81157473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).