4-[2-(3-butoxyphenoxy)ethyl]morpholine

C16H25NO3 — CID 2993436

IUPAC4-[2-(3-butoxyphenoxy)ethyl]morpholine
SMILESCCCCOc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-2-3-10-19-15-5-4-6-16(14-15)20-13-9-17-7-11-18-12-8-17/h4-6,14H,2-3,7-13H2,1H3
InChIKeyMGXOIQSQRDSCJT-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.58
Rot. Bonds8

About 4-[2-(3-butoxyphenoxy)ethyl]morpholine

4-[2-(3-butoxyphenoxy)ethyl]morpholine (PubChem CID 2993436) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[2-(3-butoxyphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-butoxyphenoxy)ethyl]morpholine
PubChem CID2993436
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[2-(3-butoxyphenoxy)ethyl]morpholine
SMILESCCCCOc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO3/c1-2-3-10-19-15-5-4-6-16(14-15)20-13-9-17-7-11-18-12-8-17/h4-6,14H,2-3,7-13H2,1H3
InChIKeyMGXOIQSQRDSCJT-UHFFFAOYSA-N
XLogP2.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
[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-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-butoxyphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(3-butoxyphenoxy)ethyl]morpholine (CID 2993436) is 4-[2-(3-butoxyphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-butoxyphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-butoxyphenoxy)ethyl]morpholine is CCCCOc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-(3-butoxyphenoxy)ethyl]morpholine?
The InChIKey is MGXOIQSQRDSCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-10-19-15-5-4-6-16(14-15)20-13-9-17-7-11-18-12-8-17/h4-6,14H,2-3,7-13H2,1H3.
What are the key properties of 4-[2-(3-butoxyphenoxy)ethyl]morpholine?
4-[2-(3-butoxyphenoxy)ethyl]morpholine has a molecular weight of 279.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-butoxyphenoxy)ethyl]morpholine is sourced from PubChem (CID 2993436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).