Basic information
- CAS
52917-67-6- Standard SMILES
c1ccc(NC2C3CC4CC(C3)CC2C4)cc1- InChIKey
ZEFPCBGROANPME-UHFFFAOYSA-N- Molecular formula
- C16H21N
- Average molar mass
- 227.34 g/mol
- Monoisotopic mass
- 227.16739967
Names & identifiers
- Preferred name
- Aniline, N-(2-adamantyl)-
- IUPAC
- N-phenyladamantan-2-amine
Names & synonyms
N-(2-Adamantyl)anilineANILINE, N-(2-ADAMANTYL)-52917-67-64-Tricyclo(3.3.1(sup 3,7))dec-1-ylbenzeneamineBenzeneamine, 4-tricyclo(3.3.1(sup 3,7))dec-1-yl-DTXSID40200966RefChem:319634DTXCID70123457Benzeneamine, 4-tricyclo(3.3.1(sup 3,7))dec-1-yl-(9CI)N-phenyladamantan-2-amine(1r,3r,5R,7R)-N-phenyltricyclo[3.3.1.1~3,7~]decan-2-amineSCHEMBL5672302
Show more names
SCHEMBL10012960STK084354AKOS004120300AKOS005393197
Database identifiers
- CAS
52917-67-6- PubChem CID
- 40580
- DTXSID
DTXSID40200966
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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