4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride

C18H30ClNO3 — CID 2995859

IUPAC4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride
SMILESCC(C)(C)c1cccc(OCCOCCN2CCOCC2)c1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-18(2,3)16-5-4-6-17(15-16)22-14-13-21-12-9-19-7-10-20-11-8-19;/h4-6,15H,7-14H2,1-3H3;1H
InChIKeyLBGUMIXLTPNBOP-UHFFFAOYSA-N
MW343.90 g/mol
LogP3.13
Rot. Bonds7

About 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride

4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride (PubChem CID 2995859) has the molecular formula C18H30ClNO3 and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride
PubChem CID2995859
Molecular FormulaC18H30ClNO3
Molecular Weight343.90 g/mol
Exact Mass343.19
IUPAC Name4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride
SMILESCC(C)(C)c1cccc(OCCOCCN2CCOCC2)c1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-18(2,3)16-5-4-6-17(15-16)22-14-13-21-12-9-19-7-10-20-11-8-19;/h4-6,15H,7-14H2,1-3H3;1H
InChIKeyLBGUMIXLTPNBOP-UHFFFAOYSA-N
XLogP3.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 53.13
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

4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
1-tert-butyl-4-[3-(3-tert-butylphenoxy)propyl]piperazine
CID 135165094
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
4-[2-[2-(2-methylquinolin-7-yl)oxyethoxy]ethyl]morpholine
CID 145139266
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride (CID 2995859) is 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride is CC(C)(C)c1cccc(OCCOCCN2CCOCC2)c1.Cl.
What is the InChIKey of 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride?
The InChIKey is LBGUMIXLTPNBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3.ClH/c1-18(2,3)16-5-4-6-17(15-16)22-14-13-21-12-9-19-7-10-20-11-8-19;/h4-6,15H,7-14H2,1-3H3;1H.
What are the key properties of 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride?
4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 2995859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).