1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine

C12H11BrClNS — CID 105076520

IUPAC1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1csc(Br)c1
InChIInChI=1S/C12H11BrClNS/c1-15-12(9-6-11(13)16-7-9)8-2-4-10(14)5-3-8/h2-7,12,15H,1H3
InChIKeyMLDOCXOSDYVKEM-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.47
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine

1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 105076520) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID105076520
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1csc(Br)c1
InChIInChI=1S/C12H11BrClNS/c1-15-12(9-6-11(13)16-7-9)8-2-4-10(14)5-3-8/h2-7,12,15H,1H3
InChIKeyMLDOCXOSDYVKEM-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 105077014
1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105141025
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144257
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
[(5-bromothiophen-3-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105304305
1-(5-bromothiophen-3-yl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107961080
1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154
5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 107960948
1-(5-bromothiophen-3-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 107960898
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 102828331
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine (CID 105076520) is 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is MLDOCXOSDYVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-15-12(9-6-11(13)16-7-9)8-2-4-10(14)5-3-8/h2-7,12,15H,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine has a molecular weight of 316.65 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105076520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).