3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine

C11H15Cl2NO2S — CID 113318192

IUPAC3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-16-8(6-14)7-17(15)11-9(12)4-3-5-10(11)13/h3-5,8H,2,6-7,14H2,1H3
InChIKeyBIYJXAQCDDMLKO-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.46
Rot. Bonds6

About 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine

3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine (PubChem CID 113318192) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine
PubChem CID113318192
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-16-8(6-14)7-17(15)11-9(12)4-3-5-10(11)13/h3-5,8H,2,6-7,14H2,1H3
InChIKeyBIYJXAQCDDMLKO-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine
CID 115477642
2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine
CID 103372597
3-[(4-chlorophenyl)methylsulfinyl]-2-ethoxypropan-1-amine
CID 114792883
2-ethoxy-3-(4-methylsulfonylphenyl)sulfinylpropan-1-amine
CID 81333630
3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 81328146
4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
CID 114227566
3-chloro-2-(2-methylpropylsulfinyl)aniline
CID 81184949
2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine
CID 81328055
N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069709
1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 115477659
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine (CID 113318192) is 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine is CCOC(CN)CS(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine?
The InChIKey is BIYJXAQCDDMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-2-16-8(6-14)7-17(15)11-9(12)4-3-5-10(11)13/h3-5,8H,2,6-7,14H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine?
3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine has a molecular weight of 296.22 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 113318192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).