(4-methoxy-1H-indol-3-yl)methanamine
PubChem CID: 10931962
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| Compound Synonyms | (4-methoxy-1H-indol-3-yl)methanamine, 153310-48-6, 4-methoxy-1h-indol-3-methylamine, 1-(4-methoxy-1H-indol-3-yl)methanamine, 4-methoxy-3-indolylmethylamine, 4-MeO-I3CH2NH2, 4-Methoxyindole-3-methanamine, 4-methoxyindole-3-methylamine, 4-methoxyindol-3-ylmethylamine, SCHEMBL5444971, 4-methoxy-3-(aminomethyl)indole, CHEBI:91160, DTXSID80448744, (4-methoxyindol-3-yl)methylamine, AKOS006295357, Q27163096 |
|---|---|
| Topological Polar Surface Area | 51.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-methoxy-1H-indol-3-yl)methanamine |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C10H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YKDYCKHEKOEVJM-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 2.0 |
| Compound Name | (4-methoxy-1H-indol-3-yl)methanamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 176.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 176.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8672654923076921 |
| Inchi | InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3 |
| Smiles | COC1=CC=CC2=C1C(=CN2)CN |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients