2-[3-(1,2-dimethoxyethyl)phenyl]morpholine

C14H21NO3 — CID 117381755

IUPAC2-[3-(1,2-dimethoxyethyl)phenyl]morpholine
SMILESCOCC(OC)c1cccc(C2CNCCO2)c1
InChIInChI=1S/C14H21NO3/c1-16-10-14(17-2)12-5-3-4-11(8-12)13-9-15-6-7-18-13/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyACQDRNACUYFIHT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds5

About 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine

2-[3-(1,2-dimethoxyethyl)phenyl]morpholine (PubChem CID 117381755) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-(1,2-dimethoxyethyl)phenyl]morpholine
PubChem CID117381755
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[3-(1,2-dimethoxyethyl)phenyl]morpholine
SMILESCOCC(OC)c1cccc(C2CNCCO2)c1
InChIInChI=1S/C14H21NO3/c1-16-10-14(17-2)12-5-3-4-11(8-12)13-9-15-6-7-18-13/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyACQDRNACUYFIHT-UHFFFAOYSA-N
XLogP1.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine
CID 117343023
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588
azane;2-phenylmorpholine
CID 174664757
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine?
The IUPAC name of 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine (CID 117381755) is 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine.
What is the SMILES notation for 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine?
The canonical SMILES for 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine is COCC(OC)c1cccc(C2CNCCO2)c1.
What is the InChIKey of 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine?
The InChIKey is ACQDRNACUYFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-10-14(17-2)12-5-3-4-11(8-12)13-9-15-6-7-18-13/h3-5,8,13-15H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine?
2-[3-(1,2-dimethoxyethyl)phenyl]morpholine has a molecular weight of 251.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dimethoxyethyl)phenyl]morpholine is sourced from PubChem (CID 117381755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).