1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

C13H13Br2NS — CID 107946211

IUPAC1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H13Br2NS/c1-8-3-6-12(17-8)13(16-2)10-5-4-9(14)7-11(10)15/h3-7,13,16H,1-2H3
InChIKeyALLCVWRYQHGNGC-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.89
Rot. Bonds3

About 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 107946211) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
PubChem CID107946211
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H13Br2NS/c1-8-3-6-12(17-8)13(16-2)10-5-4-9(14)7-11(10)15/h3-7,13,16H,1-2H3
InChIKeyALLCVWRYQHGNGC-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114024428
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480483
1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 107950365
1-(5-bromothiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480371
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43489620
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 115604721
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81290075
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
1-(2,4-dibromophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 107945033
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (CID 107946211) is 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is CNC(c1ccc(C)s1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is ALLCVWRYQHGNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-8-3-6-12(17-8)13(16-2)10-5-4-9(14)7-11(10)15/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 375.13 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 107946211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).