1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine

C13H20BrNOS — CID 79574564

IUPAC1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)CSc1ccccc1Br
InChIInChI=1S/C13H20BrNOS/c1-10(2)16-8-11(15-3)9-17-13-7-5-4-6-12(13)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyXNVLEZCWZFYORC-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.55
Rot. Bonds7

About 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine

1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine (PubChem CID 79574564) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine
PubChem CID79574564
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)CSc1ccccc1Br
InChIInChI=1S/C13H20BrNOS/c1-10(2)16-8-11(15-3)9-17-13-7-5-4-6-12(13)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyXNVLEZCWZFYORC-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
[1-(2-bromophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105238259
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-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
CID 66145054
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575022
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine (CID 79574564) is 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine is CNC(COC(C)C)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is XNVLEZCWZFYORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-10(2)16-8-11(15-3)9-17-13-7-5-4-6-12(13)14/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine?
1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 318.28 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 79574564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).