3-[(2,4,5-trimethoxyphenyl)methyl]azetidine

C13H19NO3 — CID 16779967

IUPAC3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
SMILESCOc1cc(OC)c(OC)cc1CC1CNC1
InChIInChI=1S/C13H19NO3/c1-15-11-6-13(17-3)12(16-2)5-10(11)4-9-7-14-8-9/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyQBWTYMJLTHZGGD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds5

About 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine

3-[(2,4,5-trimethoxyphenyl)methyl]azetidine (PubChem CID 16779967) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
PubChem CID16779967
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
SMILESCOc1cc(OC)c(OC)cc1CC1CNC1
InChIInChI=1S/C13H19NO3/c1-15-11-6-13(17-3)12(16-2)5-10(11)4-9-7-14-8-9/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyQBWTYMJLTHZGGD-UHFFFAOYSA-N
XLogP1.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 64609355
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
CID 82287755
3-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 79452527
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine?
The IUPAC name of 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine (CID 16779967) is 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine.
What is the SMILES notation for 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine?
The canonical SMILES for 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine is COc1cc(OC)c(OC)cc1CC1CNC1.
What is the InChIKey of 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine?
The InChIKey is QBWTYMJLTHZGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-6-13(17-3)12(16-2)5-10(11)4-9-7-14-8-9/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine?
3-[(2,4,5-trimethoxyphenyl)methyl]azetidine has a molecular weight of 237.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,5-trimethoxyphenyl)methyl]azetidine is sourced from PubChem (CID 16779967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).