2-(3-phenylmethoxyphenyl)-4-propylmorpholine

C20H25NO2 — CID 15006489

IUPAC2-(3-phenylmethoxyphenyl)-4-propylmorpholine
SMILESCCCN1CCOC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C20H25NO2/c1-2-11-21-12-13-22-20(15-21)18-9-6-10-19(14-18)23-16-17-7-4-3-5-8-17/h3-10,14,20H,2,11-13,15-16H2,1H3
InChIKeyCOBYTIMEXWCFOB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.05
Rot. Bonds6

About 2-(3-phenylmethoxyphenyl)-4-propylmorpholine

2-(3-phenylmethoxyphenyl)-4-propylmorpholine (PubChem CID 15006489) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)-4-propylmorpholine.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)-4-propylmorpholine
PubChem CID15006489
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(3-phenylmethoxyphenyl)-4-propylmorpholine
SMILESCCCN1CCOC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C20H25NO2/c1-2-11-21-12-13-22-20(15-21)18-9-6-10-19(14-18)23-16-17-7-4-3-5-8-17/h3-10,14,20H,2,11-13,15-16H2,1H3
InChIKeyCOBYTIMEXWCFOB-UHFFFAOYSA-N
XLogP4.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)-4-propylmorpholine?
The IUPAC name of 2-(3-phenylmethoxyphenyl)-4-propylmorpholine (CID 15006489) is 2-(3-phenylmethoxyphenyl)-4-propylmorpholine.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)-4-propylmorpholine?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)-4-propylmorpholine is CCCN1CCOC(c2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)-4-propylmorpholine?
The InChIKey is COBYTIMEXWCFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-11-21-12-13-22-20(15-21)18-9-6-10-19(14-18)23-16-17-7-4-3-5-8-17/h3-10,14,20H,2,11-13,15-16H2,1H3.
What are the key properties of 2-(3-phenylmethoxyphenyl)-4-propylmorpholine?
2-(3-phenylmethoxyphenyl)-4-propylmorpholine has a molecular weight of 311.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)-4-propylmorpholine is sourced from PubChem (CID 15006489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).