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Molecule
1-Methyl-3-Phenylpropylamine
CAS: 22148-77-2 · C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22148-77-2
- Molecular Formula
- C10H15N
- Molecular Mass
- 149.24 g/mol
Identifiers
CAS Registry Number
22148-77-2
SMILES
CC(N)CCc1ccccc1
InChI Key
WECUIGDEWBNQJJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
Names and Synonyms
- 1-Methyl-3-Phenylpropylamine Systematic Name
- Benzenepropanamine, α-methyl- Synonym
- Propylamine, 1-methyl-3-phenyl- Synonym
- α-Methylbenzenepropanamine Synonym
- 1-Phenyl-3-aminobutane Synonym
- 3-Amino-1-phenylbutane Synonym
- 1-Methyl-3-phenylpropylamine Synonym
- 4-Phenyl-2-aminobutane Synonym
- (±)-α-Methylbenzenepropanamine Synonym
- DL-1-Methyl-3-phenylpropylamine Synonym
- (±)-1-Methyl-3-phenylpropylamine Synonym
- (±)-3-Amino-1-phenylbutane Synonym
- 2-Amino-4-phenylbutane Synonym
- (RS)-1-Methyl-3-phenylpropylamine Synonym
- NSC 115524 Synonym
- 4-Phenyl-2-butanamine Synonym
- (3-Aminobutyl)benzene Synonym
- 4-Phenyl-2-butylamine Synonym
- 3-Phenyl-1-methylpropylamine 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 | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9289 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 223 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C)CCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WECUIGDEWBNQJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 143 °C | CAS Common Chemistry |
| Name | 1-Methyl-3-phenylpropylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.9664000000000001 | RDKit |
| 1.9664 | RDKit | |
| Molar Refractivity | 48.41240000000003 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
180
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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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Quick conversion
MW = 149.24 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15N.
