Basic information
- Standard SMILES
Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N- InChIKey
CFALXUTWUMWNAV-UHFFFAOYSA-N- Molecular formula
- C17H23N
- Average molar mass
- 241.37 g/mol
- Monoisotopic mass
- 241.18304974
Names & identifiers
- Preferred name
- 4-Adamantan-1-yl-2-methyl-phenylamine
- IUPAC
- 4-(1-adamantyl)-2-methylaniline
Names & synonyms
4-Adamantan-1-yl-2-methyl-phenylamine4-(1-adamantyl)-2-methylaniline22947-40-62-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]anilineOprea1_198214Oprea1_607278SCHEMBL792713BBL026696MFCD01838207STL380785AKOS000103530AKOS000297381
Show more names
AKOS022061090VS-08409AB00983463-01SR-01000391270SR-01000391270-12-METHYL-4-[(3R,5S,7S)-ADAMANTAN-1-YL]ANILINE
Database identifiers
- PubChem CID
- 4003555
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
2 records
Compound notes
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