N-Benzyl-3-hydroxyazetidine

C10H13NOCAS 54881-13-9163.22 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-472 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-872 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-572 % similar (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-570 % similar (3S,4S)-1-Benzylpyrrolidine-3,4-diol90365-74-570 % similar 1-Benzyl-3-hydroxypiperidine14813-01-568 % similar (S)-1-Benzyl-3-hydroxypiperidine91599-79-068 % similar (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-468 % 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 (+)-Methcathinone160977-88-8 1-(4-Aminophenyl)-1-butanone1688-71-7 (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol18881-17-9 4-Dimethylaminoacetophenone2124-31-4 N-(2,6-Dimethylphenyl)acetamide2198-53-0 N-(3,4-Dimethylphenyl)acetamide2198-54-1

Elsewhere

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