chempirical

Lofexidine

C11H12Cl2N2OCAS 31036-80-3259.13 g/mol

Open in Covalent MOL file
OClClNNH
AmidineAryl halideEther

Properties

Molecular formula
C11H12Cl2N2O
Molar mass
259.13 g/mol
Exact mass
258.0327 Da
Melting point
127 °C
logP
2.76Crippen estimate
Polar surface area
33.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
31036-80-3
SMILES
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
InChIKey
KSMAGQUYOIHWFS-UHFFFAOYSA-N
InChI
InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1H-Imidazole, 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-
  • 2-Imidazoline, 2-[1-(2,6-dichlorophenoxy)ethyl]-
  • 2-[1-(2,6-Dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
  • (±)-Lofexidine
  • NIH 10868

Work with Lofexidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lofexidine hydrochloride21498-08-892 % similar Clonidine4205-90-743 % similar Clonidine hydrochloride4205-91-840 % similar (±)-Tetrahydrozoline84-22-036 % similar 2-(2-Chlorophenoxy)propionic acid25140-86-734 % similar Apraclonidine66711-21-534 % similar Tetrahydrozoline hydrochloride522-48-534 % similar 2,6-Dichloroanisole1984-65-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook