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Molecule
(+)-1-(4-Methylphenyl)Ethylamine
CAS: 4187-38-6 · C9H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4187-38-6
- Molecular Formula
- C9H13N
- Molecular Mass
- 135.21 g/mol
Identifiers
CAS Registry Number
4187-38-6
SMILES
Cc1ccc([C@@H](C)N)cc1
InChI Key
UZDDXUMOXKDXNE-MRVPVSSYSA-N
InChI
InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m1/s1
Names and Synonyms
- (+)-1-(4-Methylphenyl)Ethylamine Common Name
- Benzenemethanamine, α,4-dimethyl-, (αR)- Synonym
- Benzylamine, p,α-dimethyl-, (+)- Synonym
- Benzenemethanamine, α,4-dimethyl-, (R)- Synonym
- (αR)-α,4-Dimethylbenzenemethanamine Synonym
- (+)-1-(p-Tolyl)ethylamine Synonym
- (R)-(+)-p,α-Dimethylbenzylamine Synonym
- (R)-α,4-Dimethylbenzylamine Synonym
- (+)-p-Methyl-α-phenylethylamine Synonym
- (R)-1-(4-Methylphenyl)ethylamine Synonym
- (+)-1-(4-Methylphenyl)ethylamine Synonym
- (R)-(+)-α,4-Dimethylbenzylamine Synonym
- [(R)-(+)-1-(4-Methylphenyl)ethyl]amine Synonym
- (R)-4-Tolylethylamine Synonym
- (1R)-1-(4-Methylphenyl)ethanamine Synonym
- (R)-(+)-1-(p-Tolyl)ethylamine Synonym
- (R)-1-(p-Tolyl)ethanamine Synonym
- (R)-1-(p-Methylphenyl)ethylamine Synonym
- (R)-(+)-4-Methyl-α-methylbenzylamine Synonym
- (R)-(+)-1-(4-Methylphenyl)ethylamine Synonym
- (1R)-1-(4-Methylphenyl)ethanamine Synonym
- (1R)-1-(4-Methylphenyl)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.21 g/mol | CAS Common Chemistry |
| Canonical SMILES | NC(C1=CC=C(C=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UZDDXUMOXKDXNE-MRVPVSSYSA-N | CAS Common Chemistry |
| Name | (+)-1-(4-Methylphenyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.0147199999999996 | RDKit |
| 2.0147 | RDKit | |
| 2.08 | chempirical lib | |
| Molar Refractivity | 43.78140000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 135.104799416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 135.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N.
