phenylethanolaminium
AlkaPlorer ID: AK009022
Synonym: 'phenylethanolaminium cation', 'beta-Phenylethanolamine', 'alpha-(Aminomethyl)benzyl alcohol', 'beta-Phenethanolamine', '2-azaniumyl-1-phenylethanol', 'Phenylethanolamine', 'alpha-(aminomethyl)benzyl alcohol', '2-Hydroxy-2-phenylethylamine', '2-ammonio-1-phenylethanol', '2-Hydroxyphenethylamine', 'phenylethanolamine', 'Bisnorephedrine', 'beta-Hydroxy-beta-phenylethylamine', 'Phenethanolamine', '2-hydroxy-2-phenylethan-1-aminium', '2-Phenyl-2-hydroxyethylamine', '2-amino-1-phenylethanol', '2-Amino-1-phenylethanol', 'beta-Hydroxyphenethylamine'
IUPAC Name: (1R)-2-amino-1-phenylethanol
Structure
SMILES: NC[C@H](O)C1=CC=CC=C1
InChI: InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m0/s1
InChIKey: ULSIYEODSMZIPX-QMMMGPOBSA-N
Reference
PubChem CID: 10606812
CAS: 2549-14-6
LOTUS: LTS0004185
SuperNatural Ⅲ: SN0373767-02
NPASS: NPC215351
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pogostemon cablin | Pogostemon | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 137.182
TPSA？: 46.25
MolLogP？: 0.6787000000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Phenylethanolamine N-methyltransferase | Km | 110000.0 | nM | 10.1016/s0960-894x(01)00245-1 |
| Bos taurus | Phenylethanolamine N-methyltransferase | Km | 286000.0 | nM | 10.1021/jm00118a021 |
| Bos taurus | Phenylethanolamine N-methyltransferase | Km | 286000.0 | nM | 10.1021/jm00352a020 |
| Homo sapiens | Phenylethanolamine N-methyltransferase | Km | 170000.0 | nM | 10.1016/s0960-894x(01)00245-1 |
| None | ADMET | Ratio | 1.7 | None | 10.1021/jm00118a021 |
| None | ADMET | Vmax | 4.85 | nM/mg*min | 10.1021/jm00118a021 |
| None | Unchecked | Ratio | 1.6 | None | 10.1016/s0960-894x(01)00245-1 |
| None | Unchecked | Vmax | 4.85 | nM/mg*min | 10.1021/jm00352a020 |
| None | Unchecked | Vmax / Kmax100 | 1.69 | None | 10.1021/jm00352a020 |