2,6-Dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
Basic information
- CAS
60431-06-3- Standard SMILES
Cc1cc(CN2CCCC2)cc(C)c1O- InChIKey
UXSWPAMSJIBWPT-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
- IUPAC
- 2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
Names & synonyms
2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol60431-06-32,6-dimethyl-4-[(pyrrolidin-1-yl)methyl]phenolSCHEMBL3380016DTXSID60379002UXSWPAMSJIBWPT-UHFFFAOYSA-NSTL191442AKOS017262990
Database identifiers
- CAS
60431-06-3- PubChem CID
- 2774367
- DTXSID
DTXSID60379002- Nikkaji
- J3.691.401G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
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Related reactions
3 records
Compound notes
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