(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine

C13H13BrClNO2S — CID 80531065

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S/c1-17-8-4-3-5-9(18-2)11(8)12(16)10-6-7(15)13(14)19-10/h3-6,12H,16H2,1-2H3
InChIKeyMLQQINHDIJQMGB-UHFFFAOYSA-N
MW362.68 g/mol
LogP4.23
Rot. Bonds4

About (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine (PubChem CID 80531065) has the molecular formula C13H13BrClNO2S and a molecular weight of 362.68 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
PubChem CID80531065
Molecular FormulaC13H13BrClNO2S
Molecular Weight362.68 g/mol
Exact Mass360.95
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S/c1-17-8-4-3-5-9(18-2)11(8)12(16)10-6-7(15)13(14)19-10/h3-6,12H,16H2,1-2H3
InChIKeyMLQQINHDIJQMGB-UHFFFAOYSA-N
XLogP4.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
CID 80533282
(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine
CID 80530800
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(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
(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65434580
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 80531281
(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684530
(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine (CID 80531065) is (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine is COc1cccc(OC)c1C(N)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine?
The InChIKey is MLQQINHDIJQMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2S/c1-17-8-4-3-5-9(18-2)11(8)12(16)10-6-7(15)13(14)19-10/h3-6,12H,16H2,1-2H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine has a molecular weight of 362.68 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine is sourced from PubChem (CID 80531065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).