Back to Search
2C-H
CAS: 3600-86-0 | C10H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3600-86-0
Molecular Formula:
C10H15NO2
Molecular Mass:
181.23 g/mol
Names and Synonyms:
2C-H
Benzeneethanamine, 2,5-dimethoxy-
Phenethylamine, 2,5-dimethoxy-
2,5-Dimethoxybenzeneethanamine
2,5-Dimethoxyphenethylamine
2-(2,5-Dimethoxyphenyl)ethylamine
2-Aminoethyl-2,5-dimethoxybenzene
NSC 168525
2-(2-Aminoethyl)-1,4-dimethoxybenzene
2-(2,5-Dimethoxyphenyl)ethanamine
2-(2,5-Dimethoxyphenyl)ethan-1-amine
Identifiers:
SMILES:
COc1ccc(OC)c(CCN)c1
InChI:
InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3
Key Properties
Boiling Point
148 °C @ Press: 8 Torr
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 | 181.23 g/mol | CAS Common Chemistry |
| 181.23499999999996 g/mol | RDKit | |
| 181.11027872 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2C-H | CAS Common Chemistry |
| Boiling Point | 148 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(OC)C(=C1)CCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WNCUVUUEJZEATP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5-Dimethoxyphenethylamine | CAS Common Chemistry |
| 2C-H | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 1.205 | RDKit |
| Molar Refractivity | 52.30440000000002 | RDKit |
