3-[(R)-ethoxy(phenyl)methyl]azetidine

C12H17NO — CID 71516188

IUPAC3-[(R)-ethoxy(phenyl)methyl]azetidine
SMILESCCO[C@@H](c1ccccc1)C1CNC1
InChIInChI=1S/C12H17NO/c1-2-14-12(11-8-13-9-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyUGVSRRLNZXWSJE-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.98
Rot. Bonds4

About 3-[(R)-ethoxy(phenyl)methyl]azetidine

3-[(R)-ethoxy(phenyl)methyl]azetidine (PubChem CID 71516188) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[(R)-ethoxy(phenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(R)-ethoxy(phenyl)methyl]azetidine
PubChem CID71516188
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[(R)-ethoxy(phenyl)methyl]azetidine
SMILESCCO[C@@H](c1ccccc1)C1CNC1
InChIInChI=1S/C12H17NO/c1-2-14-12(11-8-13-9-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyUGVSRRLNZXWSJE-LBPRGKRZSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-ethoxy(phenyl)methyl]azetidine?
The IUPAC name of 3-[(R)-ethoxy(phenyl)methyl]azetidine (CID 71516188) is 3-[(R)-ethoxy(phenyl)methyl]azetidine.
What is the SMILES notation for 3-[(R)-ethoxy(phenyl)methyl]azetidine?
The canonical SMILES for 3-[(R)-ethoxy(phenyl)methyl]azetidine is CCO[C@@H](c1ccccc1)C1CNC1.
What is the InChIKey of 3-[(R)-ethoxy(phenyl)methyl]azetidine?
The InChIKey is UGVSRRLNZXWSJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-12(11-8-13-9-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(R)-ethoxy(phenyl)methyl]azetidine?
3-[(R)-ethoxy(phenyl)methyl]azetidine has a molecular weight of 191.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-ethoxy(phenyl)methyl]azetidine is sourced from PubChem (CID 71516188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).