1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol

C14H21Cl2NO3 — CID 111336261

IUPAC1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(O)COc1c(Cl)cccc1Cl)CC(C)(C)O
InChIInChI=1S/C14H21Cl2NO3/c1-14(2,19)9-17(3)7-10(18)8-20-13-11(15)5-4-6-12(13)16/h4-6,10,18-19H,7-9H2,1-3H3
InChIKeyWDVJIUTUVOEDJN-UHFFFAOYSA-N
MW322.23 g/mol
LogP2.44
Rot. Bonds7

About 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol

1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 111336261) has the molecular formula C14H21Cl2NO3 and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
PubChem CID111336261
Molecular FormulaC14H21Cl2NO3
Molecular Weight322.23 g/mol
Exact Mass321.09
IUPAC Name1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(O)COc1c(Cl)cccc1Cl)CC(C)(C)O
InChIInChI=1S/C14H21Cl2NO3/c1-14(2,19)9-17(3)7-10(18)8-20-13-11(15)5-4-6-12(13)16/h4-6,10,18-19H,7-9H2,1-3H3
InChIKeyWDVJIUTUVOEDJN-UHFFFAOYSA-N
XLogP2.44
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol with MolForge

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Related Compounds

(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-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
CID 62334662
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111336418
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol (CID 111336261) is 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol is CN(CC(O)COc1c(Cl)cccc1Cl)CC(C)(C)O.
What is the InChIKey of 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is WDVJIUTUVOEDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO3/c1-14(2,19)9-17(3)7-10(18)8-20-13-11(15)5-4-6-12(13)16/h4-6,10,18-19H,7-9H2,1-3H3.
What are the key properties of 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol?
1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 322.23 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111336261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).