3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine

C13H19NO2 — CID 129259528

IUPAC3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine
SMILESCOc1cc(CC2CN(C)C2)cc(OC)c1
InChIInChI=1S/C13H19NO2/c1-14-8-11(9-14)4-10-5-12(15-2)7-13(6-10)16-3/h5-7,11H,4,8-9H2,1-3H3
InChIKeyQDLHDJXHPNHABZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds4

About 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine

3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine (PubChem CID 129259528) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine
PubChem CID129259528
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine
SMILESCOc1cc(CC2CN(C)C2)cc(OC)c1
InChIInChI=1S/C13H19NO2/c1-14-8-11(9-14)4-10-5-12(15-2)7-13(6-10)16-3/h5-7,11H,4,8-9H2,1-3H3
InChIKeyQDLHDJXHPNHABZ-UHFFFAOYSA-N
XLogP1.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]methyl]benzoic acid
CID 122035299
1-[3-[(3,5-dimethoxyphenyl)methyl]azetidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 146134432
1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone
CID 160940041
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
(1S,5S)-9-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 155909378
4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117377205
4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride
CID 67000199
(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol
CID 10912354
5-[(3,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211187
3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84780627
4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine
CID 91451793

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine (CID 129259528) is 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine is COc1cc(CC2CN(C)C2)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine?
The InChIKey is QDLHDJXHPNHABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-8-11(9-14)4-10-5-12(15-2)7-13(6-10)16-3/h5-7,11H,4,8-9H2,1-3H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine?
3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine has a molecular weight of 221.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine is sourced from PubChem (CID 129259528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).