2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine

C19H31NO2 — CID 2923428

IUPAC2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine
SMILESCc1ccc(C(C)C)c(OCCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C19H31NO2/c1-14(2)18-8-7-15(3)11-19(18)21-10-6-9-20-12-16(4)22-17(5)13-20/h7-8,11,14,16-17H,6,9-10,12-13H2,1-5H3
InChIKeyWLEZBYKAMHZLDO-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.00
Rot. Bonds6

About 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine

2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine (PubChem CID 2923428) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine
PubChem CID2923428
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine
SMILESCc1ccc(C(C)C)c(OCCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C19H31NO2/c1-14(2)18-8-7-15(3)11-19(18)21-10-6-9-20-12-16(4)22-17(5)13-20/h7-8,11,14,16-17H,6,9-10,12-13H2,1-5H3
InChIKeyWLEZBYKAMHZLDO-UHFFFAOYSA-N
XLogP4.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.00
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 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine (CID 2923428) is 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine is Cc1ccc(C(C)C)c(OCCCN2CC(C)OC(C)C2)c1.
What is the InChIKey of 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine?
The InChIKey is WLEZBYKAMHZLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-14(2)18-8-7-15(3)11-19(18)21-10-6-9-20-12-16(4)22-17(5)13-20/h7-8,11,14,16-17H,6,9-10,12-13H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine?
2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine has a molecular weight of 305.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]morpholine is sourced from PubChem (CID 2923428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).