2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol

C13H17Cl2NO2 — CID 60774461

IUPAC2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol
SMILESOCCN(CCOc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C13H17Cl2NO2/c14-11-2-1-3-12(15)13(11)18-9-7-16(6-8-17)10-4-5-10/h1-3,10,17H,4-9H2
InChIKeyMMUHOXMDNPUAMF-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.83
Rot. Bonds7

About 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol

2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol (PubChem CID 60774461) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol
PubChem CID60774461
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol
SMILESOCCN(CCOc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C13H17Cl2NO2/c14-11-2-1-3-12(15)13(11)18-9-7-16(6-8-17)10-4-5-10/h1-3,10,17H,4-9H2
InChIKeyMMUHOXMDNPUAMF-UHFFFAOYSA-N
XLogP2.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 63470319
N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 43607211
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962
N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide
CID 55603342
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
CID 62334662
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366
3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol (CID 60774461) is 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol is OCCN(CCOc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol?
The InChIKey is MMUHOXMDNPUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-11-2-1-3-12(15)13(11)18-9-7-16(6-8-17)10-4-5-10/h1-3,10,17H,4-9H2.
What are the key properties of 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol?
2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol has a molecular weight of 290.19 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 60774461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).