4-(2,2-Dimethylpropyl)aniline
Basic information
- CAS
27856-10-6- Standard SMILES
CC(C)(C)Cc1ccc(N)cc1- InChIKey
YRRMDWNTOXPPCU-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- 4-(2,2-Dimethylpropyl)aniline
- IUPAC
- 4-(2,2-dimethylpropyl)aniline
Names & synonyms
4-neopentylaniline27856-10-64-(2,2-Dimethylpropyl)anilineSCHEMBL861221DTXSID50591094YRRMDWNTOXPPCU-UHFFFAOYSA-N4-(2,2-Dimethyl-propyl)-phenylamine
Database identifiers
- CAS
27856-10-6- PubChem CID
- 17817656
- DTXSID
DTXSID50591094- Nikkaji
- J539.696D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
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Compound notes
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