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Molecule
3-(Methylamino)-1-Phenyl-1-Propanol
CAS: 42142-52-9 · C10H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 42142-52-9
- Molecular Formula
- C10H15NO
- Molecular Mass
- 165.24 g/mol
Identifiers
CAS Registry Number
42142-52-9
SMILES
CNCCC(O)c1ccccc1
InChI Key
XXSDCGNHLFVSET-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
Names and Synonyms
- 3-(Methylamino)-1-Phenyl-1-Propanol Systematic Name
- Benzenemethanol, α-[2-(methylamino)ethyl]- Synonym
- Benzyl alcohol, α-[2-(methylamino)ethyl]- Synonym
- α-[2-(Methylamino)ethyl]benzenemethanol Synonym
- N-Methyl-3-phenyl-3-hydroxypropylamine Synonym
- 3-Methylamino-1-phenylpropanol Synonym
- 3-Hydroxy-N-methyl-3-phenylpropylamine Synonym
- (±)-N-Methyl-3-hydroxy-3-phenylpropylamine Synonym
- 3-(Methylamino)-1-phenyl-1-propanol Synonym
- N-Methyl-3-hydroxy-3-phenylpropylamine Synonym
- Methyl(3-hydroxy-3-phenylpropyl)amine Synonym
- N-(3-Hydroxy-3-phenylpropyl)-N-methylamine Synonym
- N-Methyl-N-(3-hydroxy-3-phenylpropyl)amine Synonym
- N-(3-Hydroxy-3-phenylpropyl)methylamine Synonym
- 3-N-Methylamino-1-phenyl-1-propanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.24 g/mol | CAS Common Chemistry |
| 165.236 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC=CC1)CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XXSDCGNHLFVSET-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(Methylamino)-1-phenyl-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.3295000000000001 | RDKit |
| 1.3295 | RDKit | |
| Molar Refractivity | 49.94550000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 165.1153641 g/mol | RDKit |
| Boiling Point | 109 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 165.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO.
