1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine

C12H11BrClNS — CID 107945175

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cccs1
InChIInChI=1S/C12H11BrClNS/c1-15-12(11-3-2-4-16-11)8-5-9(13)7-10(14)6-8/h2-7,12,15H,1H3
InChIKeyQTGMNOUGTCAGLV-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.47
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 107945175) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID107945175
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cccs1
InChIInChI=1S/C12H11BrClNS/c1-15-12(11-3-2-4-16-11)8-5-9(13)7-10(14)6-8/h2-7,12,15H,1H3
InChIKeyQTGMNOUGTCAGLV-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-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 107950722
1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 107945351
1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43482198
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490530
1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
CID 107950619
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 107945175) is 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cc(Cl)cc(Br)c1)c1cccs1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is QTGMNOUGTCAGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-15-12(11-3-2-4-16-11)8-5-9(13)7-10(14)6-8/h2-7,12,15H,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine 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-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 107945175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).