3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine

C15H22FN — CID 163262685

IUPAC3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
SMILESCc1ccc(CC2CN(CCCF)C2)c(C)c1
InChIInChI=1S/C15H22FN/c1-12-4-5-15(13(2)8-12)9-14-10-17(11-14)7-3-6-16/h4-5,8,14H,3,6-7,9-11H2,1-2H3
InChIKeyIDCYISWMNAIYQB-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.14
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine

3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine (PubChem CID 163262685) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
PubChem CID163262685
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
SMILESCc1ccc(CC2CN(CCCF)C2)c(C)c1
InChIInChI=1S/C15H22FN/c1-12-4-5-15(13(2)8-12)9-14-10-17(11-14)7-3-6-16/h4-5,8,14H,3,6-7,9-11H2,1-2H3
InChIKeyIDCYISWMNAIYQB-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
The IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine (CID 163262685) is 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine is Cc1ccc(CC2CN(CCCF)C2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
The InChIKey is IDCYISWMNAIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12-4-5-15(13(2)8-12)9-14-10-17(11-14)7-3-6-16/h4-5,8,14H,3,6-7,9-11H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine has a molecular weight of 235.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine is sourced from PubChem (CID 163262685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).