Back to Search
(R)-1-(3-Methoxyphenyl)Ethylamine
CAS: 88196-70-7 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
88196-70-7
Molecular Formula:
C9H13NO
Molecular Mass:
151.21 g/mol
Names and Synonyms:
(R)-1-(3-Methoxyphenyl)Ethylamine
Benzenemethanamine, 3-methoxy-α-methyl-, (αR)-
Benzenemethanamine, 3-methoxy-α-methyl-, (R)-
(αR)-3-Methoxy-α-methylbenzenemethanamine
(R)-m-Methoxy-α-phenethylamine
(R)-1-(3-Methoxyphenyl)ethylamine
(R)-m-Methoxy-α-phenylethylamine
(R)-1-(3-Methoxyphenyl)ethylamine
(R)-3-Methoxy-α-methylbenzylamine
(R)-1-(3-Methoxyphenyl)ethanamine
(R)-(+)-1-(3-Methoxyphenyl)ethylamine
(1R)-1-(3-Methoxyphenyl)ethan-1-amine
(1R)-1-(3-Methoxyphenyl)ethanamine
Identifiers:
SMILES:
COc1cccc([C@@H](C)N)c1
InChI:
InChI=1S/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=CC(=C1)C(N)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CJWGCBRQAHCVHW-SSDOTTSWSA-N | CAS Common Chemistry |
| Name | (R)-1-(3-Methoxyphenyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.7148999999999999 | RDKit |
| Molar Refractivity | 45.596400000000024 | RDKit |
