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

C14H19Cl2NO2 — CID 102676706

IUPAC2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
SMILESOCCN(CCOc1ccc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C14H19Cl2NO2/c15-11-4-5-14(13(16)10-11)19-9-7-17(6-8-18)12-2-1-3-12/h4-5,10,12,18H,1-3,6-9H2
InChIKeyMKKNNUJTRAOSNT-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.22
Rot. Bonds7

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

2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol (PubChem CID 102676706) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
PubChem CID102676706
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
SMILESOCCN(CCOc1ccc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C14H19Cl2NO2/c15-11-4-5-14(13(16)10-11)19-9-7-17(6-8-18)12-2-1-3-12/h4-5,10,12,18H,1-3,6-9H2
InChIKeyMKKNNUJTRAOSNT-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 63470319
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
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690332
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol (CID 102676706) is 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol is OCCN(CCOc1ccc(Cl)cc1Cl)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
The InChIKey is MKKNNUJTRAOSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c15-11-4-5-14(13(16)10-11)19-9-7-17(6-8-18)12-2-1-3-12/h4-5,10,12,18H,1-3,6-9H2.
What are the key properties of 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol?
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol has a molecular weight of 304.22 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 102676706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).