(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine

C13H11BrF3NOS — CID 115850913

IUPAC(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(C(N)c2ccccc2OC(F)(F)F)sc1Br
InChIInChI=1S/C13H11BrF3NOS/c1-7-6-10(20-12(7)14)11(18)8-4-2-3-5-9(8)19-13(15,16)17/h2-6,11H,18H2,1H3
InChIKeyPXFATFUTSKEJFN-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.77
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine

(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115850913) has the molecular formula C13H11BrF3NOS and a molecular weight of 366.20 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID115850913
Molecular FormulaC13H11BrF3NOS
Molecular Weight366.20 g/mol
Exact Mass364.97
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cc(C(N)c2ccccc2OC(F)(F)F)sc1Br
InChIInChI=1S/C13H11BrF3NOS/c1-7-6-10(20-12(7)14)11(18)8-4-2-3-5-9(8)19-13(15,16)17/h2-6,11H,18H2,1H3
InChIKeyPXFATFUTSKEJFN-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79991416
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141567
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine
CID 171208041
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 115850913) is (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine is Cc1cc(C(N)c2ccccc2OC(F)(F)F)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is PXFATFUTSKEJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NOS/c1-7-6-10(20-12(7)14)11(18)8-4-2-3-5-9(8)19-13(15,16)17/h2-6,11H,18H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 366.20 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115850913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).