Basic information
- CAS
416891-71-9- Standard SMILES
CCC(CC)NCc1ccc(OC)cc1OC- InChIKey
ABKLHMFETKGKJI-UHFFFAOYSA-N- Molecular formula
- C14H23NO2
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.17287898
Names & identifiers
- Preferred name
- (2,4-Dimethoxybenzyl)(1-ethylpropyl)amine
- IUPAC
- N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine
- English name
- CHEMBRDG-BB 5531381
- Molecular formula
- C14H23NO2
- Molecular weight
- 237.34
Names & synonyms
416891-71-9(2,4-dimethoxybenzyl)(1-ethylpropyl)amineN-[(2,4-dimethoxyphenyl)methyl]pentan-3-amineN-(2,4-Dimethoxybenzyl)pentan-3-amineMLS000061009HMS2439O17Oprea1_648973Oprea1_669715CHEMBL1519551DTXSID50354505AKOS000227006N-(2,4-dimethoxybenzyl)-3-pentanamine
Show more names
CHEMBRDG-BB 5531381UKRORGSYN-BB BBV-120173Benzenemethanamine, N-(1-ethylpropyl)-2,4-dimethoxy-(2,4-dimethoxybenzyl)(1-ethylpropyl)amine(SALTDATA: HBr)
SMR000069774DB-027761CS-0367641[(2,4-dimethoxyphenyl)methyl](pentan-3-yl)amineAG-690/13701716SR-01000211645SR-01000211645-1F1967-9749
Database identifiers
- CAS
416891-71-9- PubChem CID
- 775201
- DTXSID
DTXSID50354505- ChEMBL
CHEMBL1519551
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 195
Chemistry & industry
Suppliers3 total
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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