(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

C12H9Br2F2NS — CID 80536104

IUPAC(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Br)c(Br)s2)c(F)cc1F
InChIInChI=1S/C12H9Br2F2NS/c1-5-2-6(9(16)4-8(5)15)11(17)10-3-7(13)12(14)18-10/h2-4,11H,17H2,1H3
InChIKeyCXRUXAFNAOWBMX-UHFFFAOYSA-N
MW397.08 g/mol
LogP4.91
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 80536104) has the molecular formula C12H9Br2F2NS and a molecular weight of 397.08 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID80536104
Molecular FormulaC12H9Br2F2NS
Molecular Weight397.08 g/mol
Exact Mass394.88
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Br)c(Br)s2)c(F)cc1F
InChIInChI=1S/C12H9Br2F2NS/c1-5-2-6(9(16)4-8(5)15)11(17)10-3-7(13)12(14)18-10/h2-4,11H,17H2,1H3
InChIKeyCXRUXAFNAOWBMX-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 80536245
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 80536104) is (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2cc(Br)c(Br)s2)c(F)cc1F.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is CXRUXAFNAOWBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2F2NS/c1-5-2-6(9(16)4-8(5)15)11(17)10-3-7(13)12(14)18-10/h2-4,11H,17H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 397.08 g/mol, XLogP of 4.91, 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)-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 80536104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).