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Molecule
N-Methyltyramine
CAS: 370-98-9 · C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 370-98-9
- Molecular Formula
- C9H13NO
- Molecular Mass
- 151.21 g/mol
Identifiers
CAS Registry Number
370-98-9
SMILES
CNCCc1ccc(O)cc1
InChI Key
AXVZFRBSCNEKPQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
Names and Synonyms
- N-Methyltyramine Common Name
- Phenol, 4-[2-(methylamino)ethyl]- Synonym
- Phenol, p-[2-(methylamino)ethyl]- Synonym
- 4-[2-(Methylamino)ethyl]phenol Synonym
- N-Methyltyramine Synonym
- 4-Hydroxy-N-methylphenethylamine Synonym
- N-Methyl-p-tyramine Synonym
- NSC 113958 Synonym
- N-Methyl-N-[2-(4-hydroxyphenyl)ethyl]amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.209 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methyltyramine | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AXVZFRBSCNEKPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C | CAS Common Chemistry |
| Name | N-Methyltyramine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.1541 | RDKit |
| Molar Refractivity | 45.737500000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 151.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 151.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13NO.
