(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C13H10Br2F3NS — CID 102758787

IUPAC(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2F3NS/c1-6-4-7(13(16,17)18)2-3-8(6)11(19)10-5-9(14)12(15)20-10/h2-5,11H,19H2,1H3
InChIKeyOLVLDQUCLPLYJO-UHFFFAOYSA-N
MW429.10 g/mol
LogP5.65
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102758787) has the molecular formula C13H10Br2F3NS and a molecular weight of 429.10 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102758787
Molecular FormulaC13H10Br2F3NS
Molecular Weight429.10 g/mol
Exact Mass426.89
IUPAC Name(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2F3NS/c1-6-4-7(13(16,17)18)2-3-8(6)11(19)10-5-9(14)12(15)20-10/h2-5,11H,19H2,1H3
InChIKeyOLVLDQUCLPLYJO-UHFFFAOYSA-N
XLogP5.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.10
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136
(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102828128
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758784
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102758787) is (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is OLVLDQUCLPLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2F3NS/c1-6-4-7(13(16,17)18)2-3-8(6)11(19)10-5-9(14)12(15)20-10/h2-5,11H,19H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 429.10 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102758787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).