1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol

C15H23Cl2NO3 — CID 111107927

IUPAC1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(O)COc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C15H23Cl2NO3/c1-10(2)18(7-11(3)19)8-12(20)9-21-15-13(16)5-4-6-14(15)17/h4-6,10-12,19-20H,7-9H2,1-3H3
InChIKeyVKBQIMPBYMTBQQ-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.82
Rot. Bonds8

About 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol

1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol (PubChem CID 111107927) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
PubChem CID111107927
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(O)COc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C15H23Cl2NO3/c1-10(2)18(7-11(3)19)8-12(20)9-21-15-13(16)5-4-6-14(15)17/h4-6,10-12,19-20H,7-9H2,1-3H3
InChIKeyVKBQIMPBYMTBQQ-UHFFFAOYSA-N
XLogP2.82
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
CID 111336261
1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107978
(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
CID 62334662
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol (CID 111107927) is 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol is CC(O)CN(CC(O)COc1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is VKBQIMPBYMTBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-10(2)18(7-11(3)19)8-12(20)9-21-15-13(16)5-4-6-14(15)17/h4-6,10-12,19-20H,7-9H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 336.26 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 111107927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).