4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine

C17H27NO2 — CID 2057700

IUPAC4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine
SMILESCc1cc(C)c(C)c(OCCCCN2CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-14-12-15(2)16(3)17(13-14)20-9-5-4-6-18-7-10-19-11-8-18/h12-13H,4-11H2,1-3H3
InChIKeySCZZMRSXERCOKF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.10
Rot. Bonds6

About 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine

4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine (PubChem CID 2057700) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine
PubChem CID2057700
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine
SMILESCc1cc(C)c(C)c(OCCCCN2CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-14-12-15(2)16(3)17(13-14)20-9-5-4-6-18-7-10-19-11-8-18/h12-13H,4-11H2,1-3H3
InChIKeySCZZMRSXERCOKF-UHFFFAOYSA-N
XLogP3.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine?
The IUPAC name of 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine (CID 2057700) is 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine is Cc1cc(C)c(C)c(OCCCCN2CCOCC2)c1.
What is the InChIKey of 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine?
The InChIKey is SCZZMRSXERCOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-12-15(2)16(3)17(13-14)20-9-5-4-6-18-7-10-19-11-8-18/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine?
4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3,5-trimethylphenoxy)butyl]morpholine is sourced from PubChem (CID 2057700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).