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Molecule
4-Fluorophenethylamine
CAS: 1583-88-6 · C8H10FN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1583-88-6
- Molecular Formula
- C8H10FN
- Molecular Mass
- 139.17 g/mol
Identifiers
CAS Registry Number
1583-88-6
SMILES
NCCc1ccc(F)cc1
InChI Key
CKLFJWXRWIQYOC-UHFFFAOYSA-N
InChI
InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
Names and Synonyms
- 4-Fluorophenethylamine Synonym
- Benzeneethanamine, 4-fluoro- Synonym
- Phenethylamine, p-fluoro- Synonym
- 4-Fluorobenzeneethanamine Synonym
- 2-(p-Fluorophenyl)ethylamine Synonym
- 4-Fluorophenethylamine Synonym
- p-Fluorophenethylamine Synonym
- 2-(4-Fluorophenyl)ethylamine Synonym
- (p-Fluorophenyl)ethylamine Synonym
- 2-(4-Fluorophenyl)ethanamine Synonym
- 4-(2-Aminoethyl)fluorobenzene Synonym
- 2-(4-Fluorophenyl)ethan-1-amine 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 | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.069 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | FC1=CC=C(C=C1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CKLFJWXRWIQYOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Fluorophenethylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.3269 | RDKit |
| Molar Refractivity | 39.15840000000002 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 | 99-100 °C @ 24 Torr | CAS Common Chemistry |
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.
External Resources
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MW = 139.17 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10FN.
