4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine

C16H20N2O2 — CID 141374478

IUPAC4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C16H20N2O2/c1-3-14(16-5-2-6-17-16)13-15(4-1)20-12-9-18-7-10-19-11-8-18/h1-6,13,17H,7-12H2
InChIKeyNDDGGGUFMLDUME-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds5

About 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine

4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine (PubChem CID 141374478) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
PubChem CID141374478
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C16H20N2O2/c1-3-14(16-5-2-6-17-16)13-15(4-1)20-12-9-18-7-10-19-11-8-18/h1-6,13,17H,7-12H2
InChIKeyNDDGGGUFMLDUME-UHFFFAOYSA-N
XLogP2.39
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde
CID 175896939
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
4-[2-[3-(1-methylcyclopropyl)phenoxy]ethyl]morpholine
CID 143919423
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine (CID 141374478) is 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine is c1cc(OCCN2CCOCC2)cc(-c2ccc[nH]2)c1.
What is the InChIKey of 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is NDDGGGUFMLDUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14(16-5-2-6-17-16)13-15(4-1)20-12-9-18-7-10-19-11-8-18/h1-6,13,17H,7-12H2.
What are the key properties of 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine?
4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 141374478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).