1-((4-Methylphenyl)amino)-3-(propylamino)-2-propanol
Basic information
- CAS
7588-19-4- Standard SMILES
CCCNCC(O)CNc1ccc(C)cc1- InChIKey
LRKHSSWFQRVLEO-UHFFFAOYSA-N- Molecular formula
- C13H22N2O
- Average molar mass
- 222.33 g/mol
- Monoisotopic mass
- 222.17321333
Names & identifiers
- Preferred name
- 1-((4-Methylphenyl)amino)-3-(propylamino)-2-propanol
- IUPAC
- 1-(4-methylanilino)-3-(propylamino)propan-2-ol
Names & synonyms
7588-19-4RefChem:10536571-((4-Methylphenyl)amino)-3-(propylamino)-2-propanolBRN 32686601-(Propylamino)-3-(p-toluidino)-2-propanol2-Propanol, 1-(propylamino)-3-(p-toluidino)-1-(4-methylanilino)-3-(propylamino)propan-2-olDTXSID209972611-(propylamino)-3-(4-toluidino)-2-propanol
Database identifiers
- CAS
7588-19-4- PubChem CID
- 202162
- DTXSID
DTXSID20997261
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 167
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Compound notes
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