4-[6-(4-tert-butylphenoxy)hexyl]morpholine

C20H33NO2 — CID 2238032

IUPAC4-[6-(4-tert-butylphenoxy)hexyl]morpholine
SMILESCC(C)(C)c1ccc(OCCCCCCN2CCOCC2)cc1
InChIInChI=1S/C20H33NO2/c1-20(2,3)18-8-10-19(11-9-18)23-15-7-5-4-6-12-21-13-16-22-17-14-21/h8-11H,4-7,12-17H2,1-3H3
InChIKeyYXAQRPYKUGNRSR-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.26
Rot. Bonds8

About 4-[6-(4-tert-butylphenoxy)hexyl]morpholine

4-[6-(4-tert-butylphenoxy)hexyl]morpholine (PubChem CID 2238032) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-[6-(4-tert-butylphenoxy)hexyl]morpholine.

Molecular Properties

Compound Name4-[6-(4-tert-butylphenoxy)hexyl]morpholine
PubChem CID2238032
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name4-[6-(4-tert-butylphenoxy)hexyl]morpholine
SMILESCC(C)(C)c1ccc(OCCCCCCN2CCOCC2)cc1
InChIInChI=1S/C20H33NO2/c1-20(2,3)18-8-10-19(11-9-18)23-15-7-5-4-6-12-21-13-16-22-17-14-21/h8-11H,4-7,12-17H2,1-3H3
InChIKeyYXAQRPYKUGNRSR-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
4-[4-[7-[13-[7-[4-(4-carboxyphenoxy)carbonylphenoxy]heptyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]heptoxy]benzoyl]oxybenzoic acid
CID 102428299
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 23446712
4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870228
4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 16612050
N-methylmethanamine;4-[2-[4-(2-methylpentan-2-yl)phenoxy]ethyl]morpholine
CID 142387605
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
CID 138678189
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-tert-butylphenoxy)hexyl]morpholine?
The IUPAC name of 4-[6-(4-tert-butylphenoxy)hexyl]morpholine (CID 2238032) is 4-[6-(4-tert-butylphenoxy)hexyl]morpholine.
What is the SMILES notation for 4-[6-(4-tert-butylphenoxy)hexyl]morpholine?
The canonical SMILES for 4-[6-(4-tert-butylphenoxy)hexyl]morpholine is CC(C)(C)c1ccc(OCCCCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[6-(4-tert-butylphenoxy)hexyl]morpholine?
The InChIKey is YXAQRPYKUGNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-20(2,3)18-8-10-19(11-9-18)23-15-7-5-4-6-12-21-13-16-22-17-14-21/h8-11H,4-7,12-17H2,1-3H3.
What are the key properties of 4-[6-(4-tert-butylphenoxy)hexyl]morpholine?
4-[6-(4-tert-butylphenoxy)hexyl]morpholine has a molecular weight of 319.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-tert-butylphenoxy)hexyl]morpholine is sourced from PubChem (CID 2238032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).