2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine

C15H15BrClNS — CID 66054713

IUPAC2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClNS/c1-18-15(11-3-2-4-13(17)9-11)10-19-14-7-5-12(16)6-8-14/h2-9,15,18H,10H2,1H3
InChIKeyAZOGRVUXYIKYDM-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine

2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine (PubChem CID 66054713) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
PubChem CID66054713
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(CSc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClNS/c1-18-15(11-3-2-4-13(17)9-11)10-19-14-7-5-12(16)6-8-14/h2-9,15,18H,10H2,1H3
InChIKeyAZOGRVUXYIKYDM-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
2-(4-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66057090
2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 66056292
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
CID 64632010
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
1-(3-chlorophenyl)-N-methylbut-3-en-1-amine
CID 61380748
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine (CID 66054713) is 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine is CNC(CSc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is AZOGRVUXYIKYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c1-18-15(11-3-2-4-13(17)9-11)10-19-14-7-5-12(16)6-8-14/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine?
2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine has a molecular weight of 356.72 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 66054713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).