(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine

C13H13Br2NS — CID 80532992

IUPAC(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)c(Br)s2)cc1C
InChIInChI=1S/C13H13Br2NS/c1-7-3-4-9(5-8(7)2)12(16)11-6-10(14)13(15)17-11/h3-6,12H,16H2,1-2H3
InChIKeyNDWLXVAYNZFSHZ-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.94
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine

(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine (PubChem CID 80532992) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
PubChem CID80532992
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)c(Br)s2)cc1C
InChIInChI=1S/C13H13Br2NS/c1-7-3-4-9(5-8(7)2)12(16)11-6-10(14)13(15)17-11/h3-6,12H,16H2,1-2H3
InChIKeyNDWLXVAYNZFSHZ-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

(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 80533218
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 103220480
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237691
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine (CID 80532992) is (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2cc(Br)c(Br)s2)cc1C.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is NDWLXVAYNZFSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-7-3-4-9(5-8(7)2)12(16)11-6-10(14)13(15)17-11/h3-6,12H,16H2,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)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 (4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 80532992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).