(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine

C13H13Br2NS — CID 102827023

IUPAC(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1cc(Br)c(C)s1
InChIInChI=1S/C13H13Br2NS/c1-7-3-4-9(14)5-10(7)13(16)12-6-11(15)8(2)17-12/h3-6,13H,16H2,1-2H3
InChIKeyKSTWPSROWZBOLO-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.94
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine

(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine (PubChem CID 102827023) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
PubChem CID102827023
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1cc(Br)c(C)s1
InChIInChI=1S/C13H13Br2NS/c1-7-3-4-9(14)5-10(7)13(16)12-6-11(15)8(2)17-12/h3-6,13H,16H2,1-2H3
InChIKeyKSTWPSROWZBOLO-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(3-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827156
(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186
(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65307701
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine (CID 102827023) is (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine is Cc1ccc(Br)cc1C(N)c1cc(Br)c(C)s1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine?
The InChIKey is KSTWPSROWZBOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-7-3-4-9(14)5-10(7)13(16)12-6-11(15)8(2)17-12/h3-6,13H,16H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine?
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine has a molecular weight of 375.13 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 102827023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).