1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine

C13H13BrClNS — CID 80531204

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1cc(Cl)c(Br)s1)c1ccccc1C
InChIInChI=1S/C13H13BrClNS/c1-8-5-3-4-6-9(8)12(16-2)11-7-10(15)13(14)17-11/h3-7,12,16H,1-2H3
InChIKeyHPJIAUGFGXGRSL-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.78
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine

1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 80531204) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID80531204
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1cc(Cl)c(Br)s1)c1ccccc1C
InChIInChI=1S/C13H13BrClNS/c1-8-5-3-4-6-9(8)12(16-2)11-7-10(15)13(14)17-11/h3-7,12,16H,1-2H3
InChIKeyHPJIAUGFGXGRSL-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 80530820
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107982085
1-(5-bromo-4-methylthiophen-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477863
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114027955
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 80531186
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820351
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998838
N-[(4,5-dibromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 80533829

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine (CID 80531204) is 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1cc(Cl)c(Br)s1)c1ccccc1C.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is HPJIAUGFGXGRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-8-5-3-4-6-9(8)12(16-2)11-7-10(15)13(14)17-11/h3-7,12,16H,1-2H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 330.68 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 80531204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).