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

C13H11BrF3NS — CID 79992170

IUPAC(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(N)c2ccc(C(F)(F)F)cc2)sc1Br
InChIInChI=1S/C13H11BrF3NS/c1-7-6-10(19-12(7)14)11(18)8-2-4-9(5-3-8)13(15,16)17/h2-6,11H,18H2,1H3
InChIKeyLATRFXAOGUDHBG-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.89
Rot. Bonds2

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

(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 79992170) has the molecular formula C13H11BrF3NS and a molecular weight of 350.20 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID79992170
Molecular FormulaC13H11BrF3NS
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(N)c2ccc(C(F)(F)F)cc2)sc1Br
InChIInChI=1S/C13H11BrF3NS/c1-7-6-10(19-12(7)14)11(18)8-2-4-9(5-3-8)13(15,16)17/h2-6,11H,18H2,1H3
InChIKeyLATRFXAOGUDHBG-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 106877167
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43559003
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 79981059
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 79992170) is (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(N)c2ccc(C(F)(F)F)cc2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LATRFXAOGUDHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NS/c1-7-6-10(19-12(7)14)11(18)8-2-4-9(5-3-8)13(15,16)17/h2-6,11H,18H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 350.20 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 79992170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).