1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol

C12H17Cl2NO2 — CID 60634254

IUPAC1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-6-15-7-9(16)8-17-12-10(13)4-3-5-11(12)14/h3-5,9,15-16H,2,6-8H2,1H3
InChIKeyQQBFIGABXYXAQK-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.73
Rot. Bonds7

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

1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol (PubChem CID 60634254) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
PubChem CID60634254
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-6-15-7-9(16)8-17-12-10(13)4-3-5-11(12)14/h3-5,9,15-16H,2,6-8H2,1H3
InChIKeyQQBFIGABXYXAQK-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
4-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 60908871
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83120734
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088
1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
CID 107412633
1-(propylamino)-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 43166275
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
1-(2-chloro-4-methylphenoxy)-3-(propylamino)propan-2-ol
CID 62671258
1-[(5-bromothiophen-2-yl)methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 60744187
1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
CID 60633323
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-(propylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol (CID 60634254) is 1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol is CCCNCC(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol?
The InChIKey is QQBFIGABXYXAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-2-6-15-7-9(16)8-17-12-10(13)4-3-5-11(12)14/h3-5,9,15-16H,2,6-8H2,1H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol?
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol has a molecular weight of 278.18 g/mol, XLogP of 2.73, 7 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-(propylamino)propan-2-ol is sourced from PubChem (CID 60634254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).