1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol

C16H25Cl2NO2 — CID 65039959

IUPAC1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
SMILESCCC(CC)(CC)NCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C16H25Cl2NO2/c1-4-16(5-2,6-3)19-10-12(20)11-21-15-13(17)8-7-9-14(15)18/h7-9,12,19-20H,4-6,10-11H2,1-3H3
InChIKeySBSSETUYEIQVRW-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.29
Rot. Bonds9

About 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol

1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol (PubChem CID 65039959) has the molecular formula C16H25Cl2NO2 and a molecular weight of 334.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
PubChem CID65039959
Molecular FormulaC16H25Cl2NO2
Molecular Weight334.29 g/mol
Exact Mass333.13
IUPAC Name1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
SMILESCCC(CC)(CC)NCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C16H25Cl2NO2/c1-4-16(5-2,6-3)19-10-12(20)11-21-15-13(17)8-7-9-14(15)18/h7-9,12,19-20H,4-6,10-11H2,1-3H3
InChIKeySBSSETUYEIQVRW-UHFFFAOYSA-N
XLogP4.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
2-[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-ethylpropane-1,3-diol
CID 103601368
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62360958

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol (CID 65039959) is 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol is CCC(CC)(CC)NCC(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol?
The InChIKey is SBSSETUYEIQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO2/c1-4-16(5-2,6-3)19-10-12(20)11-21-15-13(17)8-7-9-14(15)18/h7-9,12,19-20H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol?
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol has a molecular weight of 334.29 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 65039959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).