3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine

C15H21NO — CID 106931474

IUPAC3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine
SMILESCc1ccc(C2(COCC3CC3)CNC2)cc1
InChIInChI=1S/C15H21NO/c1-12-2-6-14(7-3-12)15(9-16-10-15)11-17-8-13-4-5-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyVGAOPCGACSBHKX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.26
Rot. Bonds5

About 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine

3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine (PubChem CID 106931474) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine
PubChem CID106931474
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine
SMILESCc1ccc(C2(COCC3CC3)CNC2)cc1
InChIInChI=1S/C15H21NO/c1-12-2-6-14(7-3-12)15(9-16-10-15)11-17-8-13-4-5-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyVGAOPCGACSBHKX-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine (CID 106931474) is 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine is Cc1ccc(C2(COCC3CC3)CNC2)cc1.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine?
The InChIKey is VGAOPCGACSBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-2-6-14(7-3-12)15(9-16-10-15)11-17-8-13-4-5-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine?
3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine has a molecular weight of 231.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine is sourced from PubChem (CID 106931474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).