(4-Fluoro-benzyl)-(2-methoxy-1-methyl-ethyl)-amine
Basic information
- CAS
418786-13-7- Standard SMILES
COCC(C)NCc1ccc(F)cc1- InChIKey
NDIIJKZDNPQYTK-UHFFFAOYSA-N- Molecular formula
- C11H16FNO
- Average molar mass
- 197.25 g/mol
- Monoisotopic mass
- 197.1215923
Names & identifiers
- Preferred name
- (4-Fluoro-benzyl)-(2-methoxy-1-methyl-ethyl)-amine
- IUPAC
- N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine
- English name
- (4-Fluoro-benzyl)-(2-methoxy-1-methyl-ethyl)-amine
- Molecular formula
- C11H16FNO
- Molecular weight
- 197.25
Names & synonyms
418786-13-7(4-Fluoro-benzyl)-(2-methoxy-1-methyl-ethyl)-amineN-(4-Fluorobenzyl)-1-methoxypropan-2-amineN-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine(4-fluorobenzyl)(2-methoxy-1-methylethyl)amine[(4-fluorophenyl)methyl](1-methoxypropan-2-yl)amineN-[(4-Fluorophenyl)methyl]-1-methoxy-propan-2-amine[(4-fluorophenyl)methyl](2-methoxy-isopropyl)amineOprea1_251742SCHEMBL17605007DTXSID60386110BBL013846
Show more names
AKOS B023224CHEMBRDG-BB 5565282ART-CHEM-BB B023224TIMTEC-BB SBB007235UKRORGSYN-BB BBV-123872Benzenemethanamine, 4-fluoro-N-(2-methoxy-1-methylethyl)-(4-fluorobenzyl)(2-methoxy-1-methylethyl)amine(SALTDATA: HCl)
MFCD01454834SBB007235STL194206AKOS000230688AKOS017273245VS-04019CS-0320100ST50280256
Database identifiers
- CAS
418786-13-7- PubChem CID
- 2853097
- DTXSID
DTXSID60386110
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 249.3 · 249.3±20.0 °C(Predicted)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 8.88 · 8.88±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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