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Molecule
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 Mass
- 149.24 g/mol
Identifiers
CAS Registry Number
5266-85-3
SMILES
Cc1cccc(C(C)C)c1N
InChI Key
DDTKYVBFPULMGN-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3
Names and Synonyms
- 2-Isopropyl-6-Methylaniline Synonym
- Benzenamine, 2-methyl-6-(1-methylethyl)- Synonym
- m-Cymen-2-amine Synonym
- 2-Methyl-6-(1-methylethyl)benzenamine Synonym
- 2-Isopropyl-6-methylaniline Synonym
- 2-Methyl-6-isopropylaniline Synonym
- 6-Isopropyl-o-toluidine Synonym
- 2-Isopropyl-6-methylphenylamine Synonym
- 2-Isopropyl-6-methylbenzenamine Synonym
- 2-Methyl-6-(propan-2-yl)aniline Synonym
- 2-Methyl-6-propan-2-ylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.24 g/mol | CAS Common Chemistry |
| 149.237 g/mol | RDKit | |
| Canonical SMILES | NC=1C(=CC=CC1C(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DDTKYVBFPULMGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Isopropyl-6-methylaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.70062 | RDKit |
| 2.7006 | RDKit | |
| 2.47 | chempirical lib | |
| Molar Refractivity | 49.68040000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 149.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 149.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15N.
