4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride

C16H26ClNO2 — CID 24761646

IUPAC4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride
SMILESCc1cc(OCCN2CCOCC2)ccc1C(C)C.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13(2)16-5-4-15(12-14(16)3)19-11-8-17-6-9-18-10-7-17;/h4-5,12-13H,6-11H2,1-3H3;1H
InChIKeyRGNVHUTYPAZBJB-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.25
Rot. Bonds5

About 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride

4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride (PubChem CID 24761646) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride
PubChem CID24761646
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride
SMILESCc1cc(OCCN2CCOCC2)ccc1C(C)C.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13(2)16-5-4-15(12-14(16)3)19-11-8-17-6-9-18-10-7-17;/h4-5,12-13H,6-11H2,1-3H3;1H
InChIKeyRGNVHUTYPAZBJB-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride (CID 24761646) is 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride is Cc1cc(OCCN2CCOCC2)ccc1C(C)C.Cl.
What is the InChIKey of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride?
The InChIKey is RGNVHUTYPAZBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-13(2)16-5-4-15(12-14(16)3)19-11-8-17-6-9-18-10-7-17;/h4-5,12-13H,6-11H2,1-3H3;1H.
What are the key properties of 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride?
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 24761646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).