3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine

C16H23NO2 — CID 116870870

IUPAC3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
SMILESCCOc1ccc(C2(C3CCNC3)COC2)cc1C
InChIInChI=1S/C16H23NO2/c1-3-19-15-5-4-13(8-12(15)2)16(10-18-11-16)14-6-7-17-9-14/h4-5,8,14,17H,3,6-7,9-11H2,1-2H3
InChIKeyQXGONYTUVVNAFG-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.27
Rot. Bonds4

About 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine

3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine (PubChem CID 116870870) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
PubChem CID116870870
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
SMILESCCOc1ccc(C2(C3CCNC3)COC2)cc1C
InChIInChI=1S/C16H23NO2/c1-3-19-15-5-4-13(8-12(15)2)16(10-18-11-16)14-6-7-17-9-14/h4-5,8,14,17H,3,6-7,9-11H2,1-2H3
InChIKeyQXGONYTUVVNAFG-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3,4-dimethylphenyl)oxetan-3-yl]piperidine
CID 116870954
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]pyrrolidine
CID 116870863
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
CID 116869361
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
CID 116870898
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840215
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
CID 116874334
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine?
The IUPAC name of 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine (CID 116870870) is 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine.
What is the SMILES notation for 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine?
The canonical SMILES for 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine is CCOc1ccc(C2(C3CCNC3)COC2)cc1C.
What is the InChIKey of 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine?
The InChIKey is QXGONYTUVVNAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-15-5-4-13(8-12(15)2)16(10-18-11-16)14-6-7-17-9-14/h4-5,8,14,17H,3,6-7,9-11H2,1-2H3.
What are the key properties of 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine?
3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine has a molecular weight of 261.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine is sourced from PubChem (CID 116870870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).