4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine

C21H27NO2 — CID 803266

IUPAC4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
SMILESCC(C)(c1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,18-6-4-3-5-7-18)19-8-10-20(11-9-19)24-17-14-22-12-15-23-16-13-22/h3-11H,12-17H2,1-2H3
InChIKeyJNDONVBYUGJASL-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.72
Rot. Bonds6

About 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine

4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine (PubChem CID 803266) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
PubChem CID803266
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
SMILESCC(C)(c1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,18-6-4-3-5-7-18)19-8-10-20(11-9-19)24-17-14-22-12-15-23-16-13-22/h3-11H,12-17H2,1-2H3
InChIKeyJNDONVBYUGJASL-UHFFFAOYSA-N
XLogP3.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
N-methylmethanamine;4-[2-[4-(2-methylpentan-2-yl)phenoxy]ethyl]morpholine
CID 142387605
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
CID 138678189
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
(2R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 30734616
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine
CID 118384322
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine (CID 803266) is 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine is CC(C)(c1ccccc1)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is JNDONVBYUGJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-21(2,18-6-4-3-5-7-18)19-8-10-20(11-9-19)24-17-14-22-12-15-23-16-13-22/h3-11H,12-17H2,1-2H3.
What are the key properties of 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 325.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 803266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).