1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine

C17H28BrNS — CID 66145054

IUPAC1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
SMILESCCCCC(CC)CC(CSc1ccccc1Br)NC
InChIInChI=1S/C17H28BrNS/c1-4-6-9-14(5-2)12-15(19-3)13-20-17-11-8-7-10-16(17)18/h7-8,10-11,14-15,19H,4-6,9,12-13H2,1-3H3
InChIKeyJTPFSCUMJSUAAB-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.74
Rot. Bonds10

About 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine

1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine (PubChem CID 66145054) has the molecular formula C17H28BrNS and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
PubChem CID66145054
Molecular FormulaC17H28BrNS
Molecular Weight358.39 g/mol
Exact Mass357.11
IUPAC Name1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
SMILESCCCCC(CC)CC(CSc1ccccc1Br)NC
InChIInChI=1S/C17H28BrNS/c1-4-6-9-14(5-2)12-15(19-3)13-20-17-11-8-7-10-16(17)18/h7-8,10-11,14-15,19H,4-6,9,12-13H2,1-3H3
InChIKeyJTPFSCUMJSUAAB-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine 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

[1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238238
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
CID 82922352
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine
CID 79574564
[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
CID 105238335
1-(2-bromophenyl)sulfanylheptan-2-ol
CID 66144629
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
[1-(2-bromophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105238259

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine (CID 66145054) is 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine is CCCCC(CC)CC(CSc1ccccc1Br)NC.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine?
The InChIKey is JTPFSCUMJSUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNS/c1-4-6-9-14(5-2)12-15(19-3)13-20-17-11-8-7-10-16(17)18/h7-8,10-11,14-15,19H,4-6,9,12-13H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine?
1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine has a molecular weight of 358.39 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine is sourced from PubChem (CID 66145054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).