1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.

Carbazoles

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Carbazoles

Calculated Property

kind Value Source
logP 4.39 ALOGPS
logS -5 ALOGPS
Water Solubility 3.61e-03 g/l ALOGPS
logP 4.83 ChemAxon
IUPAC Name (2S)-1-(cyclohexylamino)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol ChemAxon
Traditional IUPAC Name (2S)-1-(cyclohexylamino)-3-(3-methyl-5,6,7,8-tetrahydrocarbazol-9-yl)propan-2-ol ChemAxon
Molecular Weight 340.5023 ChemAxon
Monoisotopic Weight 340.251463656 ChemAxon
SMILES [H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2 ChemAxon
Molecular Formula C22H32N2O ChemAxon
InChI InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1 ChemAxon
InChIKey InChIKey=AXYFCRIRLKSCRR-SFHVURJKSA-N ChemAxon
Polar Surface Area (PSA) 37.19 ChemAxon
Refractivity 104.3 ChemAxon
Polarizability 42.21 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.44 ChemAxon
pKa (strongest basic) 10.21 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glycylpeptide N-tetradecanoyltransferase 2 : in Human