3-[3-(4-propylphenyl)oxetan-3-yl]morpholine

C16H23NO2 — CID 116874053

IUPAC3-[3-(4-propylphenyl)oxetan-3-yl]morpholine
SMILESCCCc1ccc(C2(C3COCCN3)COC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-13-4-6-14(7-5-13)16(11-19-12-16)15-10-18-9-8-17-15/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyYYOLFXUEEAXZMP-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.90
Rot. Bonds4

About 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine

3-[3-(4-propylphenyl)oxetan-3-yl]morpholine (PubChem CID 116874053) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine.

Molecular Properties

Compound Name3-[3-(4-propylphenyl)oxetan-3-yl]morpholine
PubChem CID116874053
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[3-(4-propylphenyl)oxetan-3-yl]morpholine
SMILESCCCc1ccc(C2(C3COCCN3)COC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-13-4-6-14(7-5-13)16(11-19-12-16)15-10-18-9-8-17-15/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyYYOLFXUEEAXZMP-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-threo-Ritalinol methyl ether
CID 16719668
(2R)-2-[(1R)-2-methoxy-1-phenylethyl]piperidine;hydrochloride
CID 16719674
N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine
CID 97322922
3-(Diphenylmethyl)morpholine
CID 57466051
2-(Fluoromethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 156031535
2-(1-Fluoroethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 156031578
(3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine
CID 162411500
N,N-diethyl-2-(2-phenyl-1-piperidin-2-ylethoxy)ethanamine
CID 3024473
N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
CID 28464230
N-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
CID 28464232
N-{[3-(3-fluorophenyl)tetrahydro-3-furanyl]methyl}-2-methyl-1-(4-morpholinyl)-2-propanamine
CID 45230305
1-(4-tert-butylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61756909

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine?
The IUPAC name of 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine (CID 116874053) is 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine.
What is the SMILES notation for 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine?
The canonical SMILES for 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine is CCCc1ccc(C2(C3COCCN3)COC2)cc1.
What is the InChIKey of 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine?
The InChIKey is YYOLFXUEEAXZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-13-4-6-14(7-5-13)16(11-19-12-16)15-10-18-9-8-17-15/h4-7,15,17H,2-3,8-12H2,1H3.
What are the key properties of 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine?
3-[3-(4-propylphenyl)oxetan-3-yl]morpholine has a molecular weight of 261.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylphenyl)oxetan-3-yl]morpholine is sourced from PubChem (CID 116874053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).