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Molecule
1-(4-Fluorophenyl)Ethylamine
CAS: 403-40-7 · C8H10FN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 403-40-7
- Molecular Formula
- C8H10FN
- Molecular Mass
- 139.17 g/mol
Identifiers
CAS Registry Number
403-40-7
SMILES
CC(N)c1ccc(F)cc1
InChI Key
QGCLEUGNYRXBMZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
Names and Synonyms
- 1-(4-Fluorophenyl)Ethylamine Synonym
- Benzenemethanamine, 4-fluoro-α-methyl- Synonym
- Benzylamine, p-fluoro-α-methyl- Synonym
- 4-Fluoro-α-methylbenzenemethanamine Synonym
- p-Fluoro-α-methylbenzylamine Synonym
- 1-(4-Fluorophenyl)ethylamine Synonym
- 1-(p-Fluorophenyl)ethylamine Synonym
- 1-(4-Fluorophenyl)ethanamine Synonym
- 4-Fluoro-α-methylbenzylamine Synonym
- 1-(4-Fluorophenyl)-1-ethanamine Synonym
- (±)-1-(4-Fluorophenyl)ethylamine Synonym
- α-Methyl-4-fluorobenzylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.17 g/mol | CAS Common Chemistry |
| 139.17299999999997 g/mol | RDKit | |
| 139.173 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=C1)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QGCLEUGNYRXBMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(4-Fluorophenyl)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 | 1.8454000000000002 | RDKit |
| 1.8454 | RDKit | |
| 1.98 | chempirical lib | |
| Molar Refractivity | 39.00240000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 139.07972754 g/mol | RDKit |
| Boiling Point | 75-76 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 139.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10FN.
