3-(4-Cyclopropylmethoxy-phenoxy)-azetidine

HCID 86689009

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: c1cc(OC2CNC2)ccc1OCC1CC1
InChIKey: FRGMVZKRIYVALK-UHFFFAOYSA-N
Molecular formula: C13H17NO2
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.12592879

Names & identifiers

Preferred name: 3-(4-Cyclopropylmethoxy-phenoxy)-azetidine
IUPAC: 3-[4-(cyclopropylmethoxy)phenoxy]azetidine

Names & synonyms

3-(4-Cyclopropylmethoxy-phenoxy)-azetidine1446008-06-53-[4-(cyclopropylmethoxy)phenoxy]azetidineSCHEMBL15064720FRGMVZKRIYVALK-UHFFFAOYSA-N3-(4-Cyclopropylmethoxyphenoxy)-azetidineA1-14688

Database identifiers

PubChem CID: 86689009

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 218

Related reactions

8 records

New reaction record

HRID 40506As productuspto-grants-2013_09

HRID 40508As reactantuspto-grants-2013_09

HRID 40519As reactantuspto-grants-2013_09

HRID 40530As reactantuspto-grants-2013_09

HRID 282396As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 799995As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 836412As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 938395As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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