N-methyl-2-naphthalen-1-yloxyethanamine

HCID 2199302

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 50882-69-4
Standard SMILES: CNCCOc1cccc2ccccc12
InChIKey: GYIQQYDOLSGVHC-UHFFFAOYSA-N
Molecular formula: C13H15NO
Average molar mass: 201.26 g/mol
Monoisotopic mass: 201.1153641

Names & identifiers

Preferred name: N-methyl-2-naphthalen-1-yloxyethanamine
IUPAC: N-methyl-2-naphthalen-1-yloxyethanamine

Names & synonyms

50882-69-4N-methyl-2-naphthalen-1-yloxyethanamineN-methyl-2-(naphthalen-1-yloxy)ethanamineN-methyl-N-[2-(1-naphthyloxy)ethyl]amineEthanamine, N-methyl-2-(1-naphthalenyloxy)-CHEMBL138958METHYL[2-(NAPHTHALEN-1-YLOXY)ETHYL]AMINEMethyl-[2-(naphthalen-1-yloxy)-ethyl]-amineSCHEMBL6846952SCHEMBL8375308SCHEMBL30756664DTXSID40366950

Show more names

GYIQQYDOLSGVHC-UHFFFAOYSA-NBDBM50061971STL068222AKOS005261358CCG-357168ICX5600023N-methyl-2-(naphthyl-1-oxy)ethanamineAN-329/43450080

Database identifiers

CAS: 50882-69-4
PubChem CID: 2199302
DTXSID: DTXSID40366950
ChEMBL: CHEMBL138958
Nikkaji: J925.626A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 183

Related reactions

2 records

New reaction record

HRID 687991As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2304925As productuspto-grants-2002_08

Compound notes

Loading…