3-{Methyl[(2-methylphenyl)methyl]amino}propan-1-OL
Basic information
- CAS
91553-68-3- Standard SMILES
Cc1ccccc1CN(C)CCCO- InChIKey
RGOXORTZCIUDFL-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 3-{Methyl[(2-methylphenyl)methyl]amino}propan-1-OL
- IUPAC
- 3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
Names & synonyms
91553-68-3NSC61681DTXSID109196593-{METHYL[(2-METHYLPHENYL)METHYL]AMINO}PROPAN-1-OLNSC-61681AKOS009033074
Database identifiers
- CAS
91553-68-3- PubChem CID
- 247281
- DTXSID
DTXSID10919659
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
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Compound notes
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