Basic information
- CAS
500587-72-4- Standard SMILES
COc1ccc(C)c(CCN)c1- InChIKey
MHIPDDWHFPOQJW-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 2-(5-Methoxy-2-methylphenyl)ethan-1-amine
- IUPAC
- 2-(5-methoxy-2-methylphenyl)ethanamine
- English name
- Benzeneethanamine, 5-methoxy-2-methyl- (9CI)
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
500587-72-42-(5-Methoxy-2-methylphenyl)ethan-1-amineBENZENEETHANAMINE, 5-METHOXY-2-METHYL-SCHEMBL13255038DTXSID20329649DB-274026EN300-2049751Benzeneethanamine, 5-methoxy-2-methyl- (9CI)
Database identifiers
- CAS
500587-72-4- PubChem CID
- 422271
- DTXSID
DTXSID20329649
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 270.3 · 270.3±25.0 °C(Predicted)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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