N-(Cyclopropylmethyl)-1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-yl)propan-2-amine
Basic information
- CAS
22698-08-4- Standard SMILES
CC(CC1=CC2OCOC2C=C1)NCC1CC1- InChIKey
WSRSUBFEJPHHTH-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- N-(Cyclopropylmethyl)-1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-yl)propan-2-amine
- IUPAC
- 1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)propan-2-amine
Names & synonyms
SCHEMBL20970879DTXSID60745440Q6823983N-(Cyclopropylmethyl)-1-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-2-propanamineN-(Cyclopropylmethyl)-1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-yl)propan-2-amine
Database identifiers
- CAS
22698-08-4- PubChem CID
- 71308239
- DTXSID
DTXSID60745440
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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