1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol

C13H17Cl2NO — CID 63294934

IUPAC1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
SMILESCC(NCC(O)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-8(16-7-13(17)9-2-3-9)11-5-4-10(14)6-12(11)15/h4-6,8-9,13,16-17H,2-3,7H2,1H3
InChIKeyIYVZCLJOPKZBKQ-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.41
Rot. Bonds5

About 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol

1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol (PubChem CID 63294934) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
PubChem CID63294934
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
SMILESCC(NCC(O)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-8(16-7-13(17)9-2-3-9)11-5-4-10(14)6-12(11)15/h4-6,8-9,13,16-17H,2-3,7H2,1H3
InChIKeyIYVZCLJOPKZBKQ-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313
3-[1-(2,4-dichlorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025241

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol (CID 63294934) is 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol is CC(NCC(O)C1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol?
The InChIKey is IYVZCLJOPKZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(16-7-13(17)9-2-3-9)11-5-4-10(14)6-12(11)15/h4-6,8-9,13,16-17H,2-3,7H2,1H3.
What are the key properties of 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol?
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol has a molecular weight of 274.19 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol is sourced from PubChem (CID 63294934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).