(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine

C13H12BrF2NOS — CID 79981146

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(C)c(Br)s2)c(F)c1
InChIInChI=1S/C13H12BrF2NOS/c1-6-3-10(19-13(6)14)12(17)11-8(15)4-7(18-2)5-9(11)16/h3-5,12H,17H2,1-2H3
InChIKeyKDRXYNQRRFAOFI-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.15
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine (PubChem CID 79981146) has the molecular formula C13H12BrF2NOS and a molecular weight of 348.21 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
PubChem CID79981146
Molecular FormulaC13H12BrF2NOS
Molecular Weight348.21 g/mol
Exact Mass346.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(C)c(Br)s2)c(F)c1
InChIInChI=1S/C13H12BrF2NOS/c1-6-3-10(19-13(6)14)12(17)11-8(15)4-7(18-2)5-9(11)16/h3-5,12H,17H2,1-2H3
InChIKeyKDRXYNQRRFAOFI-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 79996742
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
2,3-dibromo-5-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]thiophene
CID 80538886
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880486
(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454040
(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 (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine (CID 79981146) is (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine is COc1cc(F)c(C(N)c2cc(C)c(Br)s2)c(F)c1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
The InChIKey is KDRXYNQRRFAOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NOS/c1-6-3-10(19-13(6)14)12(17)11-8(15)4-7(18-2)5-9(11)16/h3-5,12H,17H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine has a molecular weight of 348.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 79981146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).