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Molecule
2-Amino-7-Methoxytetralin
CAS: 4003-89-8 · C11H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4003-89-8
- Molecular Formula
- C11H15NO
- Molecular Mass
- 177.25 g/mol
Identifiers
CAS Registry Number
4003-89-8
SMILES
COc1ccc2c(c1)CC(N)CC2
InChI Key
ZNWNWWLWFCCREO-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
Names and Synonyms
- 2-Amino-7-Methoxytetralin Synonym
- 2-Naphthalenamine, 1,2,3,4-tetrahydro-7-methoxy- Synonym
- 2-Naphthylamine, 1,2,3,4-tetrahydro-7-methoxy- Synonym
- 1,2,3,4-Tetrahydro-7-methoxy-2-naphthalenamine Synonym
- 2-Amino-7-methoxytetralin Synonym
- 7-Methoxy-1,2,3,4-tetrahydro-2-naphthylamine Synonym
- (±)-2-Amino-7-methoxytetralin Synonym
- 7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-ylamine Synonym
- 7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine Synonym
- 7-Methoxy-2-aminotetralin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.25 g/mol | CAS Common Chemistry |
| 177.24699999999996 g/mol | RDKit | |
| 177.247 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C2C(=C1)CC(N)CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNWNWWLWFCCREO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Amino-7-methoxytetralin | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.5111999999999999 | RDKit |
| 1.5112 | RDKit | |
| Molar Refractivity | 52.99440000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 177.1153641 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 = 177.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H15NO.
