1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine

C13H13Br2NS — CID 80532880

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H13Br2NS/c1-8-3-5-9(6-4-8)12(16-2)11-7-10(14)13(15)17-11/h3-7,12,16H,1-2H3
InChIKeyBQDCICDVVXZZOF-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.89
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 80532880) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID80532880
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H13Br2NS/c1-8-3-5-9(6-4-8)12(16-2)11-7-10(14)13(15)17-11/h3-7,12,16H,1-2H3
InChIKeyBQDCICDVVXZZOF-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-(4-tert-butylphenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80534082
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 80532956
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854900
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316
1-(4,5-dibromothiophen-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057656
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 102828331
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 80533134
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 80531186
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine (CID 80532880) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is BQDCICDVVXZZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-8-3-5-9(6-4-8)12(16-2)11-7-10(14)13(15)17-11/h3-7,12,16H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)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-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 80532880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).