chempirical

N-Benzyl-3-hydroxyazetidine

C10H13NOCAS 54881-13-9163.22 g/mol

Open in Covalent MOL file
HON
AlcoholTertiary amine

Properties

Molecular formula
C10H13NO
Molar mass
163.22 g/mol
Exact mass
163.0997 Da
Melting point
64–65 °C
logP
0.86Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
54881-13-9
SMILES
OC1CN(Cc2ccccc2)C1
InChIKey
JOXQHYFVXZZGQZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c12-10-7-11(8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2

Weigh it out

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

Names and synonyms

4 names
  • 3-Azetidinol, 1-(phenylmethyl)-
  • 1-(Phenylmethyl)-3-azetidinol
  • 1-Benzyl-3-azetidinol
  • 1-Benzyl-3-hydroxyazetidine

Work with N-Benzyl-3-hydroxyazetidine

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)-(+)-1-Benzyl-3-pyrrolidinol101930-07-872 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-572 % similar 1-Benzyl-3-hydroxypiperidine14813-01-568 % similar (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-468 % similar 1-Benzyl-4-hydroxypiperidine4727-72-466 % similar 1-Benzyl-3-piperidinol hydrochloride105973-51-162 % similar Tribenzylamine620-40-658 % similar Rel-(3ar,6as)-octahydro-2-(phenylmethyl)pyrrolo[3,4-C]pyrrole172739-04-755 % similar

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

Same formula

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0 Formetorex15302-18-8 1-(4-Aminophenyl)-1-butanone1688-71-7 (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol18881-17-9 1-[4-(Dimethylamino)phenyl]ethanone2124-31-4 N-(2,6-Dimethylphenyl)acetamide2198-53-0 N-(3,4-Dimethylphenyl)acetamide2198-54-1 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-3

Elsewhere

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