Basic information
- CAS
6699-15-6- Standard SMILES
COC(=O)C(CCCN(C)C)(c1cccc2ccccc12)C(C)C- InChIKey
OFOPKNIMFYKUPQ-UHFFFAOYSA-N- Molecular formula
- C21H29NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.21982917
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, methyl ester
- IUPAC
- methyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Names & synonyms
6699-15-61-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, methyl esterRefChem:1055945alpha-(3-(Dimethylamino)propyl)-alpha-isopropyl-1-naphthaleneacetic acid methyl esterBRN 2765263DTXSID70985799methyl 5-(dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoate
Database identifiers
- CAS
6699-15-6- PubChem CID
- 23162
- DTXSID
DTXSID70985799- Nikkaji
- J42.389K
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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