Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.


Organic compounds


Benzene and substituted derivatives


Calculated Property

kind Value Source
logP 1.29 ALOGPS
logS -3.1 ALOGPS
Water Solubility 2.32e-01 g/l ALOGPS
logP 2.09 ChemAxon
IUPAC Name (2S,4S)-2,4-diamino-1,5-diphenylpentan-3-ol ChemAxon
Traditional IUPAC Name (2S,4S)-2,4-diamino-1,5-diphenylpentan-3-ol ChemAxon
Molecular Weight 270.3694 ChemAxon
Monoisotopic Weight 270.173213336 ChemAxon
SMILES [H][C@](N)(CC1=CC=CC=C1)C(O)[C@@]([H])(N)CC1=CC=CC=C1 ChemAxon
Molecular Formula C17H22N2O ChemAxon
InChI InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1 ChemAxon
Polar Surface Area (PSA) 72.27 ChemAxon
Refractivity 81.91 ChemAxon
Polarizability 31.04 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 14 ChemAxon
pKa (strongest basic) 9.71 ChemAxon
Physiological Charge 2 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

  • Gag-Pol polyprotein : in HIV-1