1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine

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 3.72 ALOGPS
logS -4 ALOGPS
Water Solubility 2.46e-02 g/l ALOGPS
logP 3.23 ChemAxon
IUPAC Name [(9-ethyl-9H-carbazol-3-yl)methyl](methyl)amine ChemAxon
Traditional IUPAC Name [(9-ethylcarbazol-3-yl)methyl](methyl)amine ChemAxon
Molecular Weight 238.3275 ChemAxon
Monoisotopic Weight 238.146998586 ChemAxon
SMILES CCN1C2=CC=C(CNC)C=C2C2=C1C=CC=C2 ChemAxon
Molecular Formula C16H18N2 ChemAxon
InChI InChI=1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3 ChemAxon
InChIKey InChIKey=LBPNOEAFWYTTEB-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 16.96 ChemAxon
Refractivity 76.37 ChemAxon
Polarizability 28.69 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 9.7 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

  • Cellular tumor antigen p53 : in Human