4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine

C19H29NO2 — CID 3076289

IUPAC4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine
SMILESCC1(C)CC(CCN2CCOCC2)(c2ccccc2)CCO1
InChIInChI=1S/C19H29NO2/c1-18(2)16-19(9-13-22-18,17-6-4-3-5-7-17)8-10-20-11-14-21-15-12-20/h3-7H,8-16H2,1-2H3
InChIKeyIJXHUROMQMYMIR-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.24
Rot. Bonds4

About 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine

4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine (PubChem CID 3076289) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine
PubChem CID3076289
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine
SMILESCC1(C)CC(CCN2CCOCC2)(c2ccccc2)CCO1
InChIInChI=1S/C19H29NO2/c1-18(2)16-19(9-13-22-18,17-6-4-3-5-7-17)8-10-20-11-14-21-15-12-20/h3-7H,8-16H2,1-2H3
InChIKeyIJXHUROMQMYMIR-UHFFFAOYSA-N
XLogP3.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine (CID 3076289) is 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine is CC1(C)CC(CCN2CCOCC2)(c2ccccc2)CCO1.
What is the InChIKey of 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine?
The InChIKey is IJXHUROMQMYMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2)16-19(9-13-22-18,17-6-4-3-5-7-17)8-10-20-11-14-21-15-12-20/h3-7H,8-16H2,1-2H3.
What are the key properties of 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine?
4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine has a molecular weight of 303.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine is sourced from PubChem (CID 3076289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).