(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine

C13H12F3NS — CID 65105009

IUPAC(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H12F3NS/c1-8-5-10(7-18-8)12(17)9-3-2-4-11(6-9)13(14,15)16/h2-7,12H,17H2,1H3
InChIKeyAJTYCZJRRINBEZ-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.12
Rot. Bonds2

About (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine

(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 65105009) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID65105009
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H12F3NS/c1-8-5-10(7-18-8)12(17)9-3-2-4-11(6-9)13(14,15)16/h2-7,12H,17H2,1H3
InChIKeyAJTYCZJRRINBEZ-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 81157473
(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 103405830
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(1S)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
CID 97000209
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 65105009) is (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(N)c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AJTYCZJRRINBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-8-5-10(7-18-8)12(17)9-3-2-4-11(6-9)13(14,15)16/h2-7,12H,17H2,1H3.
What are the key properties of (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 65105009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).