2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine

C16H18BrNS — CID 64634951

IUPAC2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CSc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNS/c1-11-6-7-15(12(2)8-11)16(18)10-19-14-5-3-4-13(17)9-14/h3-9,16H,10,18H2,1-2H3
InChIKeyLBKIZMJPTWVWLH-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.86
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 64634951) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
PubChem CID64634951
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CSc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNS/c1-11-6-7-15(12(2)8-11)16(18)10-19-14-5-3-4-13(17)9-14/h3-9,16H,10,18H2,1-2H3
InChIKeyLBKIZMJPTWVWLH-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
CID 66161169
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine
CID 64674245
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
1-(3-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66159990
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine (CID 64634951) is 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)CSc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is LBKIZMJPTWVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-11-6-7-15(12(2)8-11)16(18)10-19-14-5-3-4-13(17)9-14/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 336.30 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 64634951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).