1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

Phenylpyrroles

Organic compounds

Organoheterocyclic compounds

Pyrroles

Substituted pyrroles

Calculated Property

kind Value Source
logP 5.82 ALOGPS
logS -5.5 ALOGPS
Water Solubility 1.16e-03 g/l ALOGPS
logP 5.55 ChemAxon
IUPAC Name (cyclohexylmethyl)({[1-(4-methylphenyl)-1H-indol-3-yl]methyl})amine ChemAxon
Traditional IUPAC Name (cyclohexylmethyl)({[1-(4-methylphenyl)indol-3-yl]methyl})amine ChemAxon
Molecular Weight 332.4818 ChemAxon
Monoisotopic Weight 332.225248906 ChemAxon
SMILES CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12 ChemAxon
Molecular Formula C23H28N2 ChemAxon
InChI InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3 ChemAxon
InChIKey InChIKey=MMIJMYOYKAKQPN-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 16.96 ChemAxon
Refractivity 116.17 ChemAxon
Polarizability 40.36 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 10.25 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Steroid hormone receptor ERR1 : in Human