This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

2-Methyltryptoline

PubChem CID: 121896

Connections displayed (default: 10).
Loading graph...

Compound Synonyms 2-methyltryptoline, 13100-00-0, 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole, 2-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 2-Methyl-1,2,3,4-tetrahydro-beta-carboline, 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-, 2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE, CHEMBL69618, 1,2,3,4-Tetrahydro-2-methyl-b-carboline, 2-Methyltetrahydro-beta-carboline, DTXSID40156838, NSC683435, 2-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indole, 2-Methyl-2,3,4,9-tetrahydro-1H-b-carboline, 2-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline, Oprea1_539196, MLS001049128, 2-Methyltetrahydro-b-carboline, SCHEMBL1055807, DTXCID7079329, n-methyltetrahydro-beta-carboline, TQP1342, CHEBI:185749, HMS2268E23, BDBM50018545, AKOS006320934, HS-4256, NSC-683435, NCGC00246229-01, NCI60_029908, PD166857, SMR000386955, 2-Methyl-1,2,3,4-tetrahydro-.beta.-carboline, 2-Methyl-2,3,4,9-tetrahydro-1H-.beta.-carboline, 2-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline #, 2,3,4,9-Tetrahydro-2-methyl-1H-Pyrido[3,4-b]indole, F1905-8574, 2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 9CI, InChI=1/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H
Topological Polar Surface Area 19.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 216.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P56560, P27338, P23977, B2RXH2, P04062, P83916, O75496
Iupac Name 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Prediction Hob 1.0
Class Indoles and derivatives
Target Id NPT48
Xlogp 2.0
Superclass Organoheterocyclic compounds
Subclass Pyridoindoles
Molecular Formula C12H14N2
Prediction Swissadme 0.0
Inchi Key JOFKCNJIUXPJAC-UHFFFAOYSA-N
Fcsp3 0.3333333333333333
Logs -1.426
Rotatable Bond Count 0.0
State Solid
Logd 2.128
Synonyms 2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 9ci, 2-Methyl-1,2,3,4-tetrahydro-beta-carboline, 2-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indole, 2-Methyltryptoline, 2-Methyltetrahydro-beta-carboline
Compound Name 2-Methyltryptoline
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 186.116
Formal Charge 0.0
Monoisotopic Mass 186.116
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 186.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -2.699013885714286
Inchi InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
Smiles CN1CCC2=C(C1)NC3=CC=CC=C23
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Beta carbolines