1-Cyclopropyl-1-(2-ethoxy-4,5-dimethylphenyl)methanamine
Basic information
- CAS
535926-65-9- Standard SMILES
CCOc1cc(C)c(C)cc1C(N)C1CC1- InChIKey
IFPWGVBAISBBMC-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 1-Cyclopropyl-1-(2-ethoxy-4,5-dimethylphenyl)methanamine
- IUPAC
- cyclopropyl-(2-ethoxy-4,5-dimethylphenyl)methanamine
- English name
- Benzenemethanamine, alpha-cyclopropyl-2-ethoxy-4,5-dimethyl- (9CI)
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
535926-65-91-Cyclopropyl-1-(2-ethoxy-4,5-dimethylphenyl)methanamineDTXSID60404742Benzenemethanamine, α-cyclopropyl-2-ethoxy-4,5-dimethyl-Benzenemethanamine, alpha-cyclopropyl-2-ethoxy-4,5-dimethyl- (9CI)
Database identifiers
- CAS
535926-65-9- PubChem CID
- 4600399
- DTXSID
DTXSID60404742
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 349.4 · 349.4±30.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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