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Molecule
N-Benzyl-N-Methylethanolamine
CAS: 101-98-4 · C10H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-98-4
- Molecular Formula
- C10H15NO
- Molecular Mass
- 165.24 g/mol
Identifiers
CAS Registry Number
101-98-4
SMILES
CN(CCO)Cc1ccccc1
InChI Key
WOUANPHGFPAJCA-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
Names and Synonyms
- N-Benzyl-N-Methylethanolamine Synonym
- Ethanol, 2-[methyl(phenylmethyl)amino]- Synonym
- Ethanol, 2-(benzylmethylamino)- Synonym
- 2-[Methyl(phenylmethyl)amino]ethanol Synonym
- N-Methyl-N-benzylethanolamine Synonym
- 2-(Benzylmethylamino)ethanol Synonym
- 2-(N-Methylbenzylamino)ethanol Synonym
- N-Benzyl-N-methyl-2-aminoethanol Synonym
- β-(N-Benzyl-N-methylamino)ethanol Synonym
- N-Benzyl-N-methylethanolamine Synonym
- 2-(N-benzyl-N-methylamino)ethanol Synonym
- Benzyl(2-hydroxyethyl)methylamine Synonym
- N-Benzyl-N-methyl(2-hydroxyethyl)amine Synonym
- 2-[Benzyl(methyl)amino]ethan-1-ol 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 | OCCN(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WOUANPHGFPAJCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Benzyl-N-methylethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 1.1107 | RDKit |
| Molar Refractivity | 49.86180000000004 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 | 100-105 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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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MW = 165.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO.
