(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine

C13H13BrClNOS — CID 79991105

IUPAC(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrClNOS/c1-7-5-11(18-13(7)14)12(16)9-6-8(15)3-4-10(9)17-2/h3-6,12H,16H2,1-2H3
InChIKeyDUXDHRRFEFBZAV-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.53
Rot. Bonds3

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

(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine (PubChem CID 79991105) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
PubChem CID79991105
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrClNOS/c1-7-5-11(18-13(7)14)12(16)9-6-8(15)3-4-10(9)17-2/h3-6,12H,16H2,1-2H3
InChIKeyDUXDHRRFEFBZAV-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80532989
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454040
(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
CID 102763414
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine (CID 79991105) is (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine is COc1ccc(Cl)cc1C(N)c1cc(C)c(Br)s1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine?
The InChIKey is DUXDHRRFEFBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-7-5-11(18-13(7)14)12(16)9-6-8(15)3-4-10(9)17-2/h3-6,12H,16H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine has a molecular weight of 346.68 g/mol, XLogP of 4.53, 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)-(5-chloro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 79991105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).