1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine

C12H10Br2ClNS — CID 80535100

IUPAC1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Cl)c1sccc1Br
InChIInChI=1S/C12H10Br2ClNS/c1-16-11(12-9(14)4-5-17-12)8-3-2-7(13)6-10(8)15/h2-6,11,16H,1H3
InChIKeyIGRASRQPBICUSQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.24
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine

1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine (PubChem CID 80535100) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
PubChem CID80535100
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Cl)c1sccc1Br
InChIInChI=1S/C12H10Br2ClNS/c1-16-11(12-9(14)4-5-17-12)8-3-2-7(13)6-10(8)15/h2-6,11,16H,1H3
InChIKeyIGRASRQPBICUSQ-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 63796523
1-(5-bromo-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80529266
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
[(3-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215506
N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 80535141
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43805207
1-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725078
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine (CID 80535100) is 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1Cl)c1sccc1Br.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
The InChIKey is IGRASRQPBICUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c1-16-11(12-9(14)4-5-17-12)8-3-2-7(13)6-10(8)15/h2-6,11,16H,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine has a molecular weight of 395.55 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 80535100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).