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

C12H10Br2FNS — CID 80533099

IUPAC(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)c(Br)s2)c(F)c1
InChIInChI=1S/C12H10Br2FNS/c1-6-2-3-7(9(15)4-6)11(16)10-5-8(13)12(14)17-10/h2-5,11H,16H2,1H3
InChIKeyNRSAQOXOEZBSHX-UHFFFAOYSA-N
MW379.09 g/mol
LogP4.77
Rot. Bonds2

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

(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine (PubChem CID 80533099) has the molecular formula C12H10Br2FNS and a molecular weight of 379.09 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
PubChem CID80533099
Molecular FormulaC12H10Br2FNS
Molecular Weight379.09 g/mol
Exact Mass376.89
IUPAC Name(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)c(Br)s2)c(F)c1
InChIInChI=1S/C12H10Br2FNS/c1-6-2-3-7(9(15)4-6)11(16)10-5-8(13)12(14)17-10/h2-5,11H,16H2,1H3
InChIKeyNRSAQOXOEZBSHX-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine
CID 80536380
[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302870
3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835836
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine (CID 80533099) is (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cc(Br)c(Br)s2)c(F)c1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine?
The InChIKey is NRSAQOXOEZBSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNS/c1-6-2-3-7(9(15)4-6)11(16)10-5-8(13)12(14)17-10/h2-5,11H,16H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine has a molecular weight of 379.09 g/mol, XLogP of 4.77, 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-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 80533099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).