4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine

C17H27NO2 — CID 59832136

IUPAC4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-14-13-15(5-6-16(14)17(2,3)4)20-12-9-18-7-10-19-11-8-18/h5-6,13H,7-12H2,1-4H3
InChIKeyLGDSCGXRTHZAIN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.00
Rot. Bonds4

About 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine

4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine (PubChem CID 59832136) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
PubChem CID59832136
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-14-13-15(5-6-16(14)17(2,3)4)20-12-9-18-7-10-19-11-8-18/h5-6,13H,7-12H2,1-4H3
InChIKeyLGDSCGXRTHZAIN-UHFFFAOYSA-N
XLogP3.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine
CID 71106404
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
CID 173296855
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine (CID 59832136) is 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine is Cc1cc(OCCN2CCOCC2)ccc1C(C)(C)C.
What is the InChIKey of 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine?
The InChIKey is LGDSCGXRTHZAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-13-15(5-6-16(14)17(2,3)4)20-12-9-18-7-10-19-11-8-18/h5-6,13H,7-12H2,1-4H3.
What are the key properties of 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine?
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 59832136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).