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2-Isopropyl-6-Methylaniline
CAS: 5266-85-3 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5266-85-3
Molecular Formula:
C10H15N
Molecular Weight:
149.237 g/mol
Names and Synonyms:
2-Isopropyl-6-Methylaniline
Benzenamine, 2-methyl-6-(1-methylethyl)-
m-Cymen-2-amine
2-Methyl-6-(1-methylethyl)benzenamine
2-Isopropyl-6-methylaniline
2-Methyl-6-isopropylaniline
6-Isopropyl-o-toluidine
2-Isopropyl-6-methylphenylamine
2-Isopropyl-6-methylbenzenamine
2-Methyl-6-(propan-2-yl)aniline
2-Methyl-6-propan-2-ylaniline
Identifiers:
SMILES:
Cc1cccc(C(C)C)c1N
InChI:
InChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.237 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.12044948 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.70062 | RDKit |
| molecular_mass | 149.24 g/mol | Legacy Database |
| cas-canonical-smile | NC=1C(=CC=CC1C(C)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DDTKYVBFPULMGN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Isopropyl-6-methylaniline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 49.68040000000003 | RDKit |
