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(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 Weight:
151.20899999999997 g/mol
Names and Synonyms:
(R)-1-(3-Methoxyphenyl)Ethylamine
(1R)-1-(3-Methoxyphenyl)ethanamine
(1R)-1-(3-Methoxyphenyl)ethan-1-amine
(R)-(+)-1-(3-Methoxyphenyl)ethylamine
(R)-1-(3-Methoxyphenyl)ethanamine
(R)-3-Methoxy-α-methylbenzylamine
(R)-1-(3-Methoxyphenyl)ethylamine
(R)-m-Methoxy-α-phenylethylamine
(R)-1-(3-Methoxyphenyl)ethylamine
(R)-m-Methoxy-α-phenethylamine
(αR)-3-Methoxy-α-methylbenzenemethanamine
Benzenemethanamine, 3-methoxy-α-methyl-, (R)-
Benzenemethanamine, 3-methoxy-α-methyl-, (αR)-
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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
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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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.21 g/mol | Legacy Database |
| cas-canonical-smile | O(C1=CC=CC(=C1)C(N)C)C | Legacy Database | |
| cas-inchi | InChI=1S/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m1/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=CJWGCBRQAHCVHW-SSDOTTSWSA-N | Legacy Database | |
| cas-name | (R)-1-(3-Methoxyphenyl)ethylamine | Legacy Database | |
| LogP | 1.7148999999999999 | RDKit | |
| Molecular | Molecular Weight | 151.20899999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.099714036 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 35.25 Ų | RDKit |
| Molar | Molar Refractivity | 45.596400000000024 | RDKit |
