1-(N-Imidazolyl)-2-Hydroxy-2-(2,3-Dichlorophenyl)Octane

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.

Phenylpropylamines

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenylpropylamines

Calculated Property

kind Value Source
logP 4.99 ALOGPS
logS -4.9 ALOGPS
Water Solubility 4.72e-03 g/l ALOGPS
logP 4.96 ChemAxon
IUPAC Name (2R)-2-(2,4-dichlorophenyl)-1-(1H-imidazol-1-yl)octan-2-ol ChemAxon
Traditional IUPAC Name (2R)-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)octan-2-ol ChemAxon
Molecular Weight 341.275 ChemAxon
Monoisotopic Weight 340.11091875 ChemAxon
SMILES CCCCCC[C@](O)(CN1C=CN=C1)C1=CC=C(Cl)C=C1Cl ChemAxon
Molecular Formula C17H22Cl2N2O ChemAxon
InChI InChI=1S/C17H22Cl2N2O/c1-2-3-4-5-8-17(22,12-21-10-9-20-13-21)15-7-6-14(18)11-16(15)19/h6-7,9-11,13,22H,2-5,8,12H2,1H3/t17-/m0/s1 ChemAxon
InChIKey InChIKey=WJBNLGBHMWNHRZ-KRWDZBQOSA-N ChemAxon
Polar Surface Area (PSA) 38.05 ChemAxon
Refractivity 91.66 ChemAxon
Polarizability 35.84 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 13.42 ChemAxon
pKa (strongest basic) 6.77 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Camphor 5-monooxygenase : in Pseudomonas putida