6-[2-(3′-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 4.57 ALOGPS
logS -5.2 ALOGPS
Water Solubility 2.05e-03 g/l ALOGPS
logP 4.42 ChemAxon
IUPAC Name 6-{2-[3-(3-methoxyphenyl)phenyl]ethyl}pyridin-2-amine ChemAxon
Traditional IUPAC Name 6-{2-[3-(3-methoxyphenyl)phenyl]ethyl}pyridin-2-amine ChemAxon
Molecular Weight 304.3856 ChemAxon
Monoisotopic Weight 304.157563272 ChemAxon
SMILES COC1=CC=CC(=C1)C1=CC(CCC2=CC=CC(N)=N2)=CC=C1 ChemAxon
Molecular Formula C20H20N2O ChemAxon
InChI InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22) ChemAxon
InChIKey InChIKey=AEVBKBAFFJKFJZ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 48.14 ChemAxon
Refractivity 94.43 ChemAxon
Polarizability 35.14 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 7.38 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Beta-secretase 1 : in Human