4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine

C19H23NO2 — CID 101039998

IUPAC4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine
SMILESCOC1O/C(=N\c2ccccc2)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C19H23NO2/c1-21-18-19(17(22-18)20-16-5-3-2-4-6-16)14-8-12-7-13(10-14)11-15(19)9-12/h2-6,12-15,18H,7-11H2,1H3/b20-17-
InChIKeyVFWOEYTWWVARSF-JZJYNLBNSA-N
MW297.40 g/mol
LogP4.16
Rot. Bonds2

About 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine

4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine (PubChem CID 101039998) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine.

Molecular Properties

Compound Name4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine
PubChem CID101039998
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine
SMILESCOC1O/C(=N\c2ccccc2)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C19H23NO2/c1-21-18-19(17(22-18)20-16-5-3-2-4-6-16)14-8-12-7-13(10-14)11-15(19)9-12/h2-6,12-15,18H,7-11H2,1H3/b20-17-
InChIKeyVFWOEYTWWVARSF-JZJYNLBNSA-N
XLogP4.16
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine?
The IUPAC name of 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine (CID 101039998) is 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine.
What is the SMILES notation for 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine?
The canonical SMILES for 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine is COC1O/C(=N\c2ccccc2)C12C1CC3CC(C1)CC2C3.
What is the InChIKey of 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine?
The InChIKey is VFWOEYTWWVARSF-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-18-19(17(22-18)20-16-5-3-2-4-6-16)14-8-12-7-13(10-14)11-15(19)9-12/h2-6,12-15,18H,7-11H2,1H3/b20-17-.
What are the key properties of 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine?
4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine has a molecular weight of 297.40 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methoxy-N-phenylspiro[adamantane-2,3'-oxetane]-2'-imine is sourced from PubChem (CID 101039998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).