(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine

C12H10BrClFNS — CID 81454040

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2Cl)sc1Br
InChIInChI=1S/C12H10BrClFNS/c1-6-5-9(17-12(6)13)11(16)7-3-2-4-8(15)10(7)14/h2-5,11H,16H2,1H3
InChIKeyLHXUVDHYZUIYBT-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.66
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine (PubChem CID 81454040) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
PubChem CID81454040
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2Cl)sc1Br
InChIInChI=1S/C12H10BrClFNS/c1-6-5-9(17-12(6)13)11(16)7-3-2-4-8(15)10(7)14/h2-5,11H,16H2,1H3
InChIKeyLHXUVDHYZUIYBT-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79991416
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine (CID 81454040) is (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine is Cc1cc(C(N)c2cccc(F)c2Cl)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine?
The InChIKey is LHXUVDHYZUIYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c1-6-5-9(17-12(6)13)11(16)7-3-2-4-8(15)10(7)14/h2-5,11H,16H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine has a molecular weight of 334.64 g/mol, XLogP of 4.66, 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)-(2-chloro-3-fluorophenyl)methanamine is sourced from PubChem (CID 81454040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).