2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

C18H22BrNS — CID 64614124

IUPAC2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CSc1ccccc1Br)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22BrNS/c1-12-9-13(2)18(14(3)10-12)16(20-4)11-21-17-8-6-5-7-15(17)19/h5-10,16,20H,11H2,1-4H3
InChIKeyHAZHPQCOKJDWAE-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.43
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64614124) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64614124
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CSc1ccccc1Br)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22BrNS/c1-12-9-13(2)18(14(3)10-12)16(20-4)11-21-17-8-6-5-7-15(17)19/h5-10,16,20H,11H2,1-4H3
InChIKeyHAZHPQCOKJDWAE-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 106881610
2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
CID 66143100
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-methylethanamine
CID 106653490
N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64610898
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-bromophenyl)sulfanyl-N-methylethanamine
CID 114656321
N-[3-(2-bromophenyl)sulfanyl-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25168090
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542648
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106927657
[2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105238066

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 64614124) is 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is CNC(CSc1ccccc1Br)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is HAZHPQCOKJDWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-12-9-13(2)18(14(3)10-12)16(20-4)11-21-17-8-6-5-7-15(17)19/h5-10,16,20H,11H2,1-4H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 364.35 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64614124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).