N-(2,4,5-trimethoxybenzyl)propan-2-amine
Basic information
- CAS
499997-35-2- Standard SMILES
COc1cc(OC)c(OC)cc1CNC(C)C- InChIKey
MMENPBXFCSMASE-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- N-(2,4,5-trimethoxybenzyl)propan-2-amine
- IUPAC
- N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
- English name
- CHEMBRDG-BB 5575392
- Molecular formula
- C13H21NO3
- Molecular weight
- 239.31
Names & synonyms
499997-35-2N-(2,4,5-trimethoxybenzyl)propan-2-amine(propan-2-yl)[(2,4,5-trimethoxyphenyl)methyl]amineN-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amineOprea1_516875Oprea1_634592CHEMBL4955372SCHEMBL12932860DTXSID90354509MFCD01817801STK145710AKOS000228841
Show more names
CHEMBRDG-BB 5575392UKRORGSYN-BB BBV-119090Benzenemethanamine, 2,4,5-trimethoxy-N-(1-methylethyl)-N-(2,4,5-trimethoxybenzyl)propan-2-amine(SALTDATA: HBr)
DB-188254ST45095820(methylethyl)[(2,4,5-trimethoxyphenyl)methyl]amine
Database identifiers
- CAS
499997-35-2- PubChem CID
- 775231
- DTXSID
DTXSID90354509- ChEMBL
CHEMBL4955372
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 324.7 · 324.7±37.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- pka
- 8.93 · 8.93±0.19(Predicted)
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Compound notes
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