1-(Isopropylamino)-3-(1-Naphthyloxy)-2-Propanol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Naphthalenes

Organic compounds

Benzenoids

Naphthalenes

Calculated Property

kind Value Source
logP 3.03 ALOGPS
logS -3.5 ALOGPS
Water Solubility 7.94e-02 g/l ALOGPS
logP 2.58 ChemAxon
IUPAC Name (2R)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol ChemAxon
Traditional IUPAC Name (2R)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol ChemAxon
Molecular Weight 259.3434 ChemAxon
Monoisotopic Weight 259.157228921 ChemAxon
SMILES CC(C)NC[C@@H](O)COC1=CC=CC2=C1C=CC=C2 ChemAxon
Molecular Formula C16H21NO2 ChemAxon
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1 ChemAxon
InChIKey InChIKey=AQHHHDLHHXJYJD-CQSZACIVSA-N ChemAxon
Polar Surface Area (PSA) 41.49 ChemAxon
Refractivity 76.83 ChemAxon
Polarizability 30.03 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.09 ChemAxon
pKa (strongest basic) 9.67 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon