4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine

C17H27NO2 — CID 70920966

IUPAC4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
SMILESCCC(C)(C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-4-17(2,3)15-6-5-7-16(14-15)20-13-10-18-8-11-19-12-9-18/h5-7,14H,4,8-13H2,1-3H3
InChIKeyCYJSADNVHVLULQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds6

About 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine

4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine (PubChem CID 70920966) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
PubChem CID70920966
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
SMILESCCC(C)(C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-4-17(2,3)15-6-5-7-16(14-15)20-13-10-18-8-11-19-12-9-18/h5-7,14H,4,8-13H2,1-3H3
InChIKeyCYJSADNVHVLULQ-UHFFFAOYSA-N
XLogP3.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride
CID 2995859
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
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
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
N-methylmethanamine;4-[2-[4-(2-methylpentan-2-yl)phenoxy]ethyl]morpholine
CID 142387605
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine (CID 70920966) is 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine is CCC(C)(C)c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is CYJSADNVHVLULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-17(2,3)15-6-5-7-16(14-15)20-13-10-18-8-11-19-12-9-18/h5-7,14H,4,8-13H2,1-3H3.
What are the key properties of 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine?
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 70920966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).