Basic information
- CAS
887587-82-8- Standard SMILES
Cc1cc(O)ccc1NCC1CC1- InChIKey
LFOCCCOQPVPGAC-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 4-[(Cyclopropylmethyl)-amino]-3-methyl-phenol
- IUPAC
- 4-(cyclopropylmethylamino)-3-methylphenol
- English name
- 4-[(CYCLOPROPYLMETHYL)-AMINO]-3-METHYL-PHENOL
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
887587-82-84-[(CYCLOPROPYLMETHYL)-AMINO]-3-METHYL-PHENOL4-(cyclopropylmethylamino)-3-methylphenol4-[(Cyclopropylmethyl)amino]-3-methylphenolDTXSID40695353AKOS006286899Phenol, 4-[(cyclopropylmethyl)amino]-3-methyl-
Database identifiers
- CAS
887587-82-8- PubChem CID
- 53404256
- DTXSID
DTXSID40695353
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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