2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol

C16H23Cl2NO2 — CID 63470319

IUPAC2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
SMILESOCCN(CCOc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2NO2/c17-13-6-7-16(15(18)12-13)21-11-9-19(8-10-20)14-4-2-1-3-5-14/h6-7,12,14,20H,1-5,8-11H2
InChIKeyVWHYFZBWEYYEIX-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.00
Rot. Bonds7

About 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol

2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol (PubChem CID 63470319) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
PubChem CID63470319
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
SMILESOCCN(CCOc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2NO2/c17-13-6-7-16(15(18)12-13)21-11-9-19(8-10-20)14-4-2-1-3-5-14/h6-7,12,14,20H,1-5,8-11H2
InChIKeyVWHYFZBWEYYEIX-UHFFFAOYSA-N
XLogP4.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
CID 60807480
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690332
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol (CID 63470319) is 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol is OCCN(CCOc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
The InChIKey is VWHYFZBWEYYEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c17-13-6-7-16(15(18)12-13)21-11-9-19(8-10-20)14-4-2-1-3-5-14/h6-7,12,14,20H,1-5,8-11H2.
What are the key properties of 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol has a molecular weight of 332.27 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 63470319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).