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Molecule
N-Benzyl-N-Methylaniline
CAS: 614-30-2 · C14H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 614-30-2
- Molecular Formula
- C14H15N
- Molecular Mass
- 197.28 g/mol
Identifiers
CAS Registry Number
614-30-2
SMILES
CN(Cc1ccccc1)c1ccccc1
InChI Key
LXZGVFCKZRHKMU-UHFFFAOYSA-N
InChI
InChI=1S/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
Names and Synonyms
- N-Benzyl-N-Methylaniline Common Name
- Benzenemethanamine, N-methyl-N-phenyl- Synonym
- Benzylamine, N-methyl-N-phenyl- Synonym
- N-Methyl-N-phenylbenzenemethanamine Synonym
- N-Methyl-N-phenylbenzylamine Synonym
- N-Methyl-N-benzylaniline Synonym
- N-Benzyl-N-methylaniline Synonym
- N-Benzyl-N-methylphenylamine Synonym
- N-Benzyl-N-methyl-N-phenylamine Synonym
- NSC 97 Synonym
- N-Benzyl-N-methylbenzenamine Synonym
- N-Methyl-N-benzylphenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.28 g/mol | CAS Common Chemistry |
| 197.28099999999998 g/mol | RDKit | |
| 197.281 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0422 g/cm3 @ 26.5 °C | CAS Common Chemistry | |
| Canonical SMILES | C=1C=CC(=CC1)N(C)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LXZGVFCKZRHKMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Benzyl-N-methylaniline | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 3.323000000000002 | RDKit |
| 3.323 | RDKit | |
| Molar Refractivity | 64.99100000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 197.12044948 g/mol | RDKit |
| Boiling Point | 187-188 °C @ 26 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 197.28 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15N.
