4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine

C22H29NO2 — CID 15389030

IUPAC4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
SMILESc1ccc(CCCCc2ccccc2OCCN2CCOCC2)cc1
InChIInChI=1S/C22H29NO2/c1-2-8-20(9-3-1)10-4-5-11-21-12-6-7-13-22(21)25-19-16-23-14-17-24-18-15-23/h1-3,6-9,12-13H,4-5,10-11,14-19H2
InChIKeyPOIUSPPBENDGRF-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.96
Rot. Bonds9

About 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine

4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine (PubChem CID 15389030) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
PubChem CID15389030
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
SMILESc1ccc(CCCCc2ccccc2OCCN2CCOCC2)cc1
InChIInChI=1S/C22H29NO2/c1-2-8-20(9-3-1)10-4-5-11-21-12-6-7-13-22(21)25-19-16-23-14-17-24-18-15-23/h1-3,6-9,12-13H,4-5,10-11,14-19H2
InChIKeyPOIUSPPBENDGRF-UHFFFAOYSA-N
XLogP3.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium
CID 170869428
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
methane;4-(2-phenylethyl)morpholine
CID 143698819
(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 22764059
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine (CID 15389030) is 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine is c1ccc(CCCCc2ccccc2OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine?
The InChIKey is POIUSPPBENDGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-8-20(9-3-1)10-4-5-11-21-12-6-7-13-22(21)25-19-16-23-14-17-24-18-15-23/h1-3,6-9,12-13H,4-5,10-11,14-19H2.
What are the key properties of 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine?
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine has a molecular weight of 339.48 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 15389030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).