4-Methylamphetamine
PubChem CID: 199116
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| Compound Synonyms | 4-Methylamphetamine, Aptrol, p-Methylamphetamine, 64-11-9, 1-(4-methylphenyl)propan-2-amine, p-Methylamfetamine, P-TAP, 4-Methylamphetamine, (+/-)-, PAL-313, BRN 2082438, 4-Methyl-amphetamine, UNII-9E273KL7HS, (+-)-alpha,4-Dimethylbenzeneethanamine, Benzeneethanamine, alpha,4-dimethyl-, (+-)-, 9E273KL7HS, 1-p-Tolyl-2-propylamine, 4-12-00-02834 (Beilstein Handbook Reference), CHEMBL166183, p-.alpha.-Dimethylphenethylamine, DTXSID50945351, 1-(4-Methylphenyl)-2-propanamine, 2-Amino-1-(p-methylphenyl)propane, 2-Amino-1-(4-methylphenyl)propane, Phenethylamine, p,.alpha.-dimethyl-, 1-(4-methylphenyl)propane-2-amine, SCHEMBL81938, p-alpha-Dimethylphenethylamine, 22683-78-9, 1-Methyl-2-p-tolyl-ethylamine, Phenethylamine, p,alpha-dimethyl-, DTXCID201373670, (R)-1-(p-Tolyl)-2-propanamine, (S)-1-(p-Tolyl)-2-propanamine, 2-amino-3-(4-methylphenyl)propane, BDBM50005248, MFCD19214936, MFCD20458038, AKOS000162443, AKOS017269166, MB01961, NCI60_002219, PD057774, SY383833, SY383839, NS00068012, N10874, Q685310, F0798-0599 |
|---|---|
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08909, P14842 |
| Iupac Name | 1-(4-methylphenyl)propan-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H15N |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDHZDWSHLNBTEB-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.091 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.272 |
| Compound Name | 4-Methylamphetamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 149.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.372505763636364 |
| Inchi | InChI=1S/C10H15N/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7,11H2,1-2H3 |
| Smiles | CC1=CC=C(C=C1)CC(C)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all