Basic information
- CAS
887587-87-3- Standard SMILES
Cc1cc(O)ccc1NCC(C)C- InChIKey
FMYRFJMKUUFDQC-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 4-(2-Methyl-propylamino)-3-methyl-phenol
- IUPAC
- 3-methyl-4-(2-methylpropylamino)phenol
- English name
- 4-(2-Methyl-propylamino)-3-methyl-phenol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
887587-87-34-(2-METHYL-PROPYLAMINO)-3-METHYL-PHENOL3-methyl-4-(2-methylpropylamino)phenol3-Methyl-4-[(2-methylpropyl)amino]phenolSCHEMBL5942971DTXSID90695328AKOS006286900DA-23361Phenol, 3-methyl-4-[(2-methylpropyl)amino]-
Database identifiers
- CAS
887587-87-3- PubChem CID
- 53404131
- DTXSID
DTXSID90695328
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 147
Chemistry & industry
Suppliers2 total
德拜科技有限公司00852-2521 1836
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…