1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine

C12H10BrCl2NS — CID 102828331

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H10BrCl2NS/c1-16-11(7-2-4-8(14)5-3-7)10-6-9(13)12(15)17-10/h2-6,11,16H,1H3
InChIKeyKEGKVAJFYYEOEW-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.13
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine

1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 102828331) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID102828331
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H10BrCl2NS/c1-16-11(7-2-4-8(14)5-3-7)10-6-9(13)12(15)17-10/h2-6,11,16H,1H3
InChIKeyKEGKVAJFYYEOEW-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220625
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 114019799
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 102828202
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 102828239
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-bromo-2-methylphenyl)-N-methylmethanamine
CID 102828340
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
1-(4-bromo-5-chlorothiophen-2-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 102828345
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine (CID 102828331) is 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is KEGKVAJFYYEOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-16-11(7-2-4-8(14)5-3-7)10-6-9(13)12(15)17-10/h2-6,11,16H,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine has a molecular weight of 351.10 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 102828331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).