(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine

C12H10BrCl2NS — CID 106861118

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Cl)c(Br)s2)c(Cl)c1
InChIInChI=1S/C12H10BrCl2NS/c1-6-2-3-7(8(14)4-6)11(16)10-5-9(15)12(13)17-10/h2-5,11H,16H2,1H3
InChIKeyDTQBMVUUUXOSSN-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.17
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine (PubChem CID 106861118) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
PubChem CID106861118
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Cl)c(Br)s2)c(Cl)c1
InChIInChI=1S/C12H10BrCl2NS/c1-6-2-3-7(8(14)4-6)11(16)10-5-9(15)12(13)17-10/h2-5,11H,16H2,1H3
InChIKeyDTQBMVUUUXOSSN-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
2-bromo-5-[bromo-(2-chloro-4-methylphenyl)methyl]-3-chlorothiophene
CID 106863221
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(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-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684530

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine (CID 106861118) is (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cc(Cl)c(Br)s2)c(Cl)c1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine?
The InChIKey is DTQBMVUUUXOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-6-2-3-7(8(14)4-6)11(16)10-5-9(15)12(13)17-10/h2-5,11H,16H2,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine has a molecular weight of 351.10 g/mol, XLogP of 5.17, 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-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 106861118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).