2-Methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID: 15362
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| Compound Synonyms | 2-Methyl-1,2,3,4-tetrahydroisoquinoline, 1612-65-3, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-METHYL-, 2-methyl-3,4-dihydro-1H-isoquinoline, 1,2,3,4-Tetrahydro-2-methylisoquinoline, BRN 0127214, CHEMBL22053, 2-Methyl-1,2,3,4-tetrahydro-isoquinoline, DTXSID00167086, 5-20-06-00321 (Beilstein Handbook Reference), CHEMBL545413, MFCD00040623, SCHEMBL98108, DTXCID4089577, BDBM50014651, AKOS002314902, DS-18036, DB-330450, CS-0186657, O10829, EN300-7691375, 2-Methyl-1,2,3,4-tetrahydro-isoquinoline, hydrochloride, 2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride |
|---|---|
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10938, P22909, P42785, Q9R0C9, P23977 |
| Iupac Name | 2-methyl-3,4-dihydro-1H-isoquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYXSVGVQGFPNRQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.348 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.777 |
| Compound Name | 2-Methyl-1,2,3,4-tetrahydroisoquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2841065636363633 |
| Inchi | InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3 |
| Smiles | CN1CCC2=CC=CC=C2C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all