(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine

C13H13BrFNS — CID 65279068

IUPAC(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2sc(C)cc2Br)c1
InChIInChI=1S/C13H13BrFNS/c1-7-3-4-11(15)9(5-7)12(16)13-10(14)6-8(2)17-13/h3-6,12H,16H2,1-2H3
InChIKeyFCUXBYPKVMDJNN-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.31
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 65279068) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID65279068
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2sc(C)cc2Br)c1
InChIInChI=1S/C13H13BrFNS/c1-7-3-4-11(15)9(5-7)12(16)13-10(14)6-8(2)17-13/h3-6,12H,16H2,1-2H3
InChIKeyFCUXBYPKVMDJNN-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 65279071
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine (CID 65279068) is (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2sc(C)cc2Br)c1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is FCUXBYPKVMDJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-7-3-4-11(15)9(5-7)12(16)13-10(14)6-8(2)17-13/h3-6,12H,16H2,1-2H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 314.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 65279068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).