4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine

C18H29NO2 — CID 2582852

IUPAC4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
SMILESCc1cc(C(C)(C)C)ccc1OCCCN1CCOCC1
InChIInChI=1S/C18H29NO2/c1-15-14-16(18(2,3)4)6-7-17(15)21-11-5-8-19-9-12-20-13-10-19/h6-7,14H,5,8-13H2,1-4H3
InChIKeyXPDZCACVYBRNLN-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.39
Rot. Bonds5

About 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine

4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine (PubChem CID 2582852) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
PubChem CID2582852
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
SMILESCc1cc(C(C)(C)C)ccc1OCCCN1CCOCC1
InChIInChI=1S/C18H29NO2/c1-15-14-16(18(2,3)4)6-7-17(15)21-11-5-8-19-9-12-20-13-10-19/h6-7,14H,5,8-13H2,1-4H3
InChIKeyXPDZCACVYBRNLN-UHFFFAOYSA-N
XLogP3.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.39
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

3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
1-[3-(4-tert-butyl-2-methylphenoxy)propyl]piperidine;oxalic acid
CID 2923350
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine (CID 2582852) is 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine is Cc1cc(C(C)(C)C)ccc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine?
The InChIKey is XPDZCACVYBRNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-14-16(18(2,3)4)6-7-17(15)21-11-5-8-19-9-12-20-13-10-19/h6-7,14H,5,8-13H2,1-4H3.
What are the key properties of 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine?
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine has a molecular weight of 291.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine is sourced from PubChem (CID 2582852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).