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

C14H21Cl2NO3 — CID 79249781

IUPAC2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO3/c1-9(2)13(7-18)17-6-10(19)8-20-14-11(15)4-3-5-12(14)16/h3-5,9-10,13,17-19H,6-8H2,1-2H3
InChIKeyIIAFRDFKGLQQIO-UHFFFAOYSA-N
MW322.23 g/mol
LogP2.34
Rot. Bonds8

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

2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol (PubChem CID 79249781) has the molecular formula C14H21Cl2NO3 and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
PubChem CID79249781
Molecular FormulaC14H21Cl2NO3
Molecular Weight322.23 g/mol
Exact Mass321.09
IUPAC Name2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO3/c1-9(2)13(7-18)17-6-10(19)8-20-14-11(15)4-3-5-12(14)16/h3-5,9-10,13,17-19H,6-8H2,1-2H3
InChIKeyIIAFRDFKGLQQIO-UHFFFAOYSA-N
XLogP2.34
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250156
1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841532
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
4-[2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]propoxy]benzonitrile
CID 79248869
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79250467
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol (CID 79249781) is 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)NCC(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
The InChIKey is IIAFRDFKGLQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO3/c1-9(2)13(7-18)17-6-10(19)8-20-14-11(15)4-3-5-12(14)16/h3-5,9-10,13,17-19H,6-8H2,1-2H3.
What are the key properties of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol?
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol has a molecular weight of 322.23 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79249781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).