1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol

C13H19Cl2NO3 — CID 62014776

IUPAC1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-16(8-10(17)9-18-2)6-7-19-13-11(14)4-3-5-12(13)15/h3-5,10,17H,6-9H2,1-2H3
InChIKeyMNKNKJLYJGGTJY-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.31
Rot. Bonds8

About 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol

1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62014776) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62014776
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-16(8-10(17)9-18-2)6-7-19-13-11(14)4-3-5-12(13)15/h3-5,10,17H,6-9H2,1-2H3
InChIKeyMNKNKJLYJGGTJY-UHFFFAOYSA-N
XLogP2.31
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
CID 62334662
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
CID 111336261
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927
1-[4-(2-hydroxy-3-methoxypropoxy)butoxy]-3-[methyl-[2-(4-methylphenoxy)ethyl]amino]propan-2-ol
CID 156630032
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol (CID 62014776) is 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)CCOc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is MNKNKJLYJGGTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3/c1-16(8-10(17)9-18-2)6-7-19-13-11(14)4-3-5-12(13)15/h3-5,10,17H,6-9H2,1-2H3.
What are the key properties of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 308.20 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62014776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).