1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine

C12H11BrClNS — CID 79601651

IUPAC1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cscc1Br
InChIInChI=1S/C12H11BrClNS/c1-15-5-8-4-9(14)2-3-10(8)11-6-16-7-12(11)13/h2-4,6-7,15H,5H2,1H3
InChIKeyZGJYCUDJRONJPV-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.55
Rot. Bonds3

About 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine

1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine (PubChem CID 79601651) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
PubChem CID79601651
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cscc1Br
InChIInChI=1S/C12H11BrClNS/c1-15-5-8-4-9(14)2-3-10(8)11-6-16-7-12(11)13/h2-4,6-7,15H,5H2,1H3
InChIKeyZGJYCUDJRONJPV-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine
CID 106887486
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
CID 104660912
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66155915
1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 66160906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine (CID 79601651) is 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1cscc1Br.
What is the InChIKey of 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine?
The InChIKey is ZGJYCUDJRONJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-15-5-8-4-9(14)2-3-10(8)11-6-16-7-12(11)13/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine?
1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine has a molecular weight of 316.65 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine is sourced from PubChem (CID 79601651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).