3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine

C15H17NO — CID 79459959

IUPAC3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine
SMILESCc1ccccc1C1(Cc2ccco2)CNC1
InChIInChI=1S/C15H17NO/c1-12-5-2-3-7-14(12)15(10-16-11-15)9-13-6-4-8-17-13/h2-8,16H,9-11H2,1H3
InChIKeyBWKHSTVQLGPBOV-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.67
Rot. Bonds3

About 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine

3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine (PubChem CID 79459959) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine
PubChem CID79459959
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine
SMILESCc1ccccc1C1(Cc2ccco2)CNC1
InChIInChI=1S/C15H17NO/c1-12-5-2-3-7-14(12)15(10-16-11-15)9-13-6-4-8-17-13/h2-8,16H,9-11H2,1H3
InChIKeyBWKHSTVQLGPBOV-UHFFFAOYSA-N
XLogP2.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine?
The IUPAC name of 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine (CID 79459959) is 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine?
The canonical SMILES for 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine is Cc1ccccc1C1(Cc2ccco2)CNC1.
What is the InChIKey of 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine?
The InChIKey is BWKHSTVQLGPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-5-2-3-7-14(12)15(10-16-11-15)9-13-6-4-8-17-13/h2-8,16H,9-11H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine?
3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine has a molecular weight of 227.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine is sourced from PubChem (CID 79459959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).