ethane;4-[2-(3-methylphenoxy)ethyl]morpholine

C17H31NO2 — CID 143019407

IUPACethane;4-[2-(3-methylphenoxy)ethyl]morpholine
SMILESCC.CC.Cc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C13H19NO2.2C2H6/c1-12-3-2-4-13(11-12)16-10-7-14-5-8-15-9-6-14;2*1-2/h2-4,11H,5-10H2,1H3;2*1-2H3
InChIKeyHWXLXHGZKOMFNU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.76
Rot. Bonds4

About ethane;4-[2-(3-methylphenoxy)ethyl]morpholine

ethane;4-[2-(3-methylphenoxy)ethyl]morpholine (PubChem CID 143019407) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is ethane;4-[2-(3-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Nameethane;4-[2-(3-methylphenoxy)ethyl]morpholine
PubChem CID143019407
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nameethane;4-[2-(3-methylphenoxy)ethyl]morpholine
SMILESCC.CC.Cc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C13H19NO2.2C2H6/c1-12-3-2-4-13(11-12)16-10-7-14-5-8-15-9-6-14;2*1-2/h2-4,11H,5-10H2,1H3;2*1-2H3
InChIKeyHWXLXHGZKOMFNU-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
4-[2-[3-(1-methylcyclopropyl)phenoxy]ethyl]morpholine
CID 143919423
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 154886949
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(3-methylphenoxy)ethyl]morpholine?
The IUPAC name of ethane;4-[2-(3-methylphenoxy)ethyl]morpholine (CID 143019407) is ethane;4-[2-(3-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for ethane;4-[2-(3-methylphenoxy)ethyl]morpholine?
The canonical SMILES for ethane;4-[2-(3-methylphenoxy)ethyl]morpholine is CC.CC.Cc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of ethane;4-[2-(3-methylphenoxy)ethyl]morpholine?
The InChIKey is HWXLXHGZKOMFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.2C2H6/c1-12-3-2-4-13(11-12)16-10-7-14-5-8-15-9-6-14;2*1-2/h2-4,11H,5-10H2,1H3;2*1-2H3.
What are the key properties of ethane;4-[2-(3-methylphenoxy)ethyl]morpholine?
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine has a molecular weight of 281.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(3-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 143019407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).