(1R)-1-(5-fluoro-2-methoxyphenyl)ethan-1-amine
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Basic information
- CAS
35247-83-7- Standard SMILES
COc1ccc(F)cc1[C@@H](C)N- InChIKey
JFNGTRVLHDCFOX-ZCFIWIBFSA-N- Molecular formula
- C9H12FNO
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.09029217
Names & identifiers
- Preferred name
- (1R)-1-(5-fluoro-2-methoxyphenyl)ethan-1-amine
- IUPAC
- (1R)-1-(5-fluoro-2-methoxyphenyl)ethanamine
- English name
- (R)-1-(5-fluoro-2-methoxyphenyl)ethan-1-amine hydrochloride
- Molecular formula
- C9H12FNO
- Molecular weight
- 169.2
Names & synonyms
35247-83-7(1R)-1-(5-fluoro-2-methoxyphenyl)ethan-1-amine(R)-1-(5-fluoro-2-methoxyphenyl)ethan-1-amine(R)-1-(5-Fluoro-2-methoxyphenyl)ethanamineSCHEMBL896090MFCD09414790AKOS012676260SY383503CS-0516283EN300-1852750(R)-1-(5-Fluoro-2-methoxyphenyl)ethan-1-aminehydrochloride(R)-1-(2,6-difluoro-4-methylphenyl)ethan-1-amine
Show more names
(R)-1-(5-fluoro-2-methyloxyphenyl) ethane-1-amine(R)-1-(5-fluoro-2-methoxyphenyl)ethan-1-amine hydrochlorideBenzenemethanamine, 5-fluoro-2-methoxy-α-methyl-, (R)- (9CI)
Database identifiers
- CAS
35247-83-7- PubChem CID
- 12795921
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 252.8 · 252.8±30.0 °C(Predicted)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- pka
- 8.81 · 8.81±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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