2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol

C13H19Cl2NO2 — CID 60691948

IUPAC2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-10(2)16(5-7-17)6-8-18-13-4-3-11(14)9-12(13)15/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyRDVLWKUKKNTXBY-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.07
Rot. Bonds7

About 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol

2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol (PubChem CID 60691948) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
PubChem CID60691948
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-10(2)16(5-7-17)6-8-18-13-4-3-11(14)9-12(13)15/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyRDVLWKUKKNTXBY-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691858
2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid
CID 60833285
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 63470319
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
CID 16798589
2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
CID 60685923
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022557
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol (CID 60691948) is 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol?
The InChIKey is RDVLWKUKKNTXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-10(2)16(5-7-17)6-8-18-13-4-3-11(14)9-12(13)15/h3-4,9-10,17H,5-8H2,1-2H3.
What are the key properties of 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol?
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol has a molecular weight of 292.21 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60691948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).