Basic information
- CAS
1085-07-0- Standard SMILES
CC(C)NCC(Cl)c1ccc2ccccc2c1- InChIKey
DNEBDVGIWMFUMW-UHFFFAOYSA-N- Molecular formula
- C15H18ClN
- Average molar mass
- 247.76 g/mol
- Monoisotopic mass
- 247.1127773
Overview
N-[2-chloro-2-(naphthalen-2-yl)ethyl]propan-2-amine is a naphthalene substituted by a 1-chloro-2-(propan-2-ylamino)ethyl group at position 2. It is a member of naphthalenes, an organochlorine compound and a secondary amino compound. It is a conjugate base of a N-[2-chloro-2-(naphthalen-2-yl)ethyl]propan-2-aminium.
Names & identifiers
- Preferred name
- beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine
- IUPAC
- N-(2-chloro-2-naphthalen-2-ylethyl)propan-2-amine
Names & synonyms
beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine1085-07-0N-[2-chloro-2-(naphthalen-2-yl)ethyl]propan-2-amine[2-chloro-2-(naphthalen-2-yl)ethyl](propan-2-yl)amineN-(2-chloro-2-naphthalen-2-ylethyl)propan-2-amine[2-CHLORO-2-(NAPHTHALEN-2-YL)ETHYL](ISOPROPYL)AMINEICI-42464 (free base)2-Naphthaleneethanamine, beta-chloro-N-(1-methylethyl)-DTXSID30910749CHEBI:232040
Database identifiers
- CAS
1085-07-0- PubChem CID
- 30252
- DTXSID
DTXSID30910749- ChEBI
CHEBI:232040- Nikkaji
- J486.461A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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