(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine

C13H13BrClNS — CID 80530680

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Cl)c(Br)s2)c(C)c1
InChIInChI=1S/C13H13BrClNS/c1-7-3-4-9(8(2)5-7)12(16)11-6-10(15)13(14)17-11/h3-6,12H,16H2,1-2H3
InChIKeyJETVXIUUCBHOMJ-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.83
Rot. Bonds2

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

(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine (PubChem CID 80530680) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
PubChem CID80530680
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Cl)c(Br)s2)c(C)c1
InChIInChI=1S/C13H13BrClNS/c1-7-3-4-9(8(2)5-7)12(16)11-6-10(15)13(14)17-11/h3-6,12H,16H2,1-2H3
InChIKeyJETVXIUUCBHOMJ-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
2-bromo-5-[bromo-(2-chloro-4-methylphenyl)methyl]-3-chlorothiophene
CID 106863221
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine (CID 80530680) is (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2cc(Cl)c(Br)s2)c(C)c1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is JETVXIUUCBHOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-7-3-4-9(8(2)5-7)12(16)11-6-10(15)13(14)17-11/h3-6,12H,16H2,1-2H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine has a molecular weight of 330.68 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 80530680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).