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2-(4-Methoxyphenyl)Ethylamine
CAS: 55-81-2 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55-81-2
Molecular Formula:
C9H13NO
Molecular Mass:
151.21 g/mol
Names and Synonyms:
2-(4-Methoxyphenyl)Ethylamine
Benzeneethanamine, 4-methoxy-
Phenethylamine, p-methoxy-
4-Methoxybenzeneethanamine
Homoanisylamine
p-Methoxyphenethylamine
Tyramine, O-methyl-
4-Methoxyphenethylamine
4-Methoxyphenylethylamine
2-(p-Methoxyphenyl)ethylamine
4-Methoxy-β-phenethylamine
2-(4-Methoxyphenyl)ethylamine
4-Methoxy-β-phenylethylamine
O-Methyltyramine
2-(4-Methoxyphenyl)ethanamine
NSC 43687
[2-[4-(Methyloxy)phenyl]ethyl]amine
Tyramine methyl ether
2-(4-Methoxyphenyl)ethan-1-amine
1-(4-Methoxybenzyl)-N-methylamine
Identifiers:
SMILES:
COc1ccc(CCN)cc1
InChI:
InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
Key Properties
Boiling Point
138-140 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
44.0-46.3 °C
CAS Common Chemistry
Density
1.04 g/cm³
CAS Common Chemistry
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 |
| 151.20900000000003 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0365 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 138-140 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)CCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LTPVSOCPYWDIFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 44.0-46.3 °C | CAS Common Chemistry |
| Name | 2-(4-Methoxyphenyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.1964000000000001 | RDKit |
| Molar Refractivity | 45.75240000000002 | RDKit |
