(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine

C12H14BrNS2 — CID 65279274

IUPAC(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(Br)c(C(N)c2cc(C)c(C)s2)s1
InChIInChI=1S/C12H14BrNS2/c1-6-4-10(16-8(6)3)11(14)12-9(13)5-7(2)15-12/h4-5,11H,14H2,1-3H3
InChIKeyLKABCKKICVPSLK-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.55
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 65279274) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID65279274
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(Br)c(C(N)c2cc(C)c(C)s2)s1
InChIInChI=1S/C12H14BrNS2/c1-6-4-10(16-8(6)3)11(14)12-9(13)5-7(2)15-12/h4-5,11H,14H2,1-3H3
InChIKeyLKABCKKICVPSLK-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[chloro-(4,5-dimethylthiophen-2-yl)methyl]-5-methylthiophene
CID 65278388
(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156396
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 65279285
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237078
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237691

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 65279274) is (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(Br)c(C(N)c2cc(C)c(C)s2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is LKABCKKICVPSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-6-4-10(16-8(6)3)11(14)12-9(13)5-7(2)15-12/h4-5,11H,14H2,1-3H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 316.29 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 65279274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).