(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine

C12H9BrClF2NS — CID 82814808

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cc(Cl)c(Br)s2)c1F
InChIInChI=1S/C12H9BrClF2NS/c1-5-2-3-7(15)9(10(5)16)11(17)8-4-6(14)12(13)18-8/h2-4,11H,17H2,1H3
InChIKeyUBFNKTQSPBPSRT-UHFFFAOYSA-N
MW352.63 g/mol
LogP4.80
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 82814808) has the molecular formula C12H9BrClF2NS and a molecular weight of 352.63 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID82814808
Molecular FormulaC12H9BrClF2NS
Molecular Weight352.63 g/mol
Exact Mass350.93
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cc(Cl)c(Br)s2)c1F
InChIInChI=1S/C12H9BrClF2NS/c1-5-2-3-7(15)9(10(5)16)11(17)8-4-6(14)12(13)18-8/h2-4,11H,17H2,1H3
InChIKeyUBFNKTQSPBPSRT-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
CID 82816642
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
CID 80531065
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine (CID 82814808) is (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2cc(Cl)c(Br)s2)c1F.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is UBFNKTQSPBPSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF2NS/c1-5-2-3-7(15)9(10(5)16)11(17)8-4-6(14)12(13)18-8/h2-4,11H,17H2,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 352.63 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 82814808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).