N-Methylephedrine

C11H17NOCAS 552-79-4179.26 g/mol

Open in Covalent MOL file
HON
AlcoholTertiary amine

Properties

Molecular formula
C11H17NO
Molar mass
179.26 g/mol
Exact mass
179.1310 Da
Melting point
87.5 °C
logP
1.67Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
552-79-4
SMILES
C[C@@H]([C@H](O)c1ccccc1)N(C)C
InChIKey
FMCGSUUBYTWNDP-ONGXEEELSA-N
InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenemethanol, α-[(1S)-1-(dimethylamino)ethyl]-, (αR)-
  • Benzyl alcohol, α-[1-(dimethylamino)ethyl]-, (-)-
  • Benzenemethanol, α-[1-(dimethylamino)ethyl]-, [R-(R*,S*)]-
  • Ephedrine, N-methyl-, L-
  • (αR)-α-[(1S)-1-(Dimethylamino)ethyl]benzenemethanol
  • (-)-N-Methylephedrine
  • N-Methyl-L-ephedrine
  • (1R,2S)-(-)-N-Methylephedrine
  • Methylephedrine
  • (1R,2S)-N-Methylephedrine
  • L-N-Methylephedrine
  • (1R,2S)-2-Dimethylamino-1-phenylpropanol
  • (1R,2S)-3-Dimethylamino-1-phenyl-1-propanol
  • (1R,2S)-2-Dimethylamino-1-phenyl-1-propanol
  • (-)-Methylephedrine
  • (1R,2S)-Methylephedrine
  • (1R,2S)-N-Methylephedrin

Work with N-Methylephedrine

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

(R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-361 % similar (1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol123620-80-461 % similar (S,S)-(-)-Hydrobenzoin2325-10-254 % similar (R,R)-Hydrobenzoin52340-78-054 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-154 % similar Hydrobenzoin655-48-154 % similar (alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-150 % similar (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Benzylamino)-2-methylpropan-1-ol10250-27-8 (R)-2-Isopropylamino-2-phenylethanol112211-92-4 Mexiletine31828-71-4 (4-Isobutoxyphenyl)methanamine4734-09-2 Tricyclo[3.3.1.13,7]decane-1-carboxamide5511-18-2 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-3

Elsewhere

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