4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine

C17H27NO2 — CID 20871910

IUPAC4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
SMILESCc1cc(C(C)C)cc(C)c1OCCN1CCOCC1
InChIInChI=1S/C17H27NO2/c1-13(2)16-11-14(3)17(15(4)12-16)20-10-7-18-5-8-19-9-6-18/h11-13H,5-10H2,1-4H3
InChIKeyMSCXDKKJVKIOMA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds5

About 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine

4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine (PubChem CID 20871910) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
PubChem CID20871910
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
SMILESCc1cc(C(C)C)cc(C)c1OCCN1CCOCC1
InChIInChI=1S/C17H27NO2/c1-13(2)16-11-14(3)17(15(4)12-16)20-10-7-18-5-8-19-9-6-18/h11-13H,5-10H2,1-4H3
InChIKeyMSCXDKKJVKIOMA-UHFFFAOYSA-N
XLogP3.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride
CID 70604327
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037
4-[2-(2,3-dimethoxy-6-propan-2-ylphenoxy)ethyl]morpholine
CID 20871911
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine (CID 20871910) is 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine is Cc1cc(C(C)C)cc(C)c1OCCN1CCOCC1.
What is the InChIKey of 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine?
The InChIKey is MSCXDKKJVKIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)16-11-14(3)17(15(4)12-16)20-10-7-18-5-8-19-9-6-18/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine?
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine is sourced from PubChem (CID 20871910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).