N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine
Basic information
- CAS
418773-88-3- Standard SMILES
COc1cccc(CNC(C)C)c1OC- InChIKey
NLWAPYVZLYOWAQ-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine
- IUPAC
- N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine
- English name
- AKOS B023223
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28
Names & synonyms
418773-88-3N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine(2,3-DIMETHOXYBENZYL)ISOPROPYLAMINEN-(2,3-dimethoxybenzyl)propan-2-amineMFCD01129757[(2,3-dimethoxyphenyl)methyl](propan-2-yl)amineAKOS B023223Oprea1_786616SCHEMBL21346316SCHEMBL31113981DTXSID60357906BBL018619
Show more names
CHEMBRDG-BB 5536019ART-CHEM-BB B023223UKRORGSYN-BB BBV-119242(2,3-DIMETHOXY-BENZYL)-ISOPROPYL-AMINE(2,3-dimethoxybenzyl)isopropylamine(SALTDATA: HCl)Benzenemethanamine, 2,3-dimethoxy-N-(1-methylethyl)-[(2,3-dimethoxyphenyl)methyl](propan-2-yl)amine hydrochloride
STK145669AKOS000228687DB-179078ST45109702[(2,3-dimethoxyphenyl)methyl](methylethyl)amine
Database identifiers
- CAS
418773-88-3- PubChem CID
- 871196
- DTXSID
DTXSID60357906
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 275.1 · 275.1±25.0 °C(Predicted)
- Density
- 0.985 · 0.985±0.06 g/cm3(Predicted)
- pka
- 9.29 · 9.29±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…