2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine

C14H20ClNO2 — CID 82305769

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine
SMILESCC1COC(c2ccc(OC(C)C)c(Cl)c2)CN1
InChIInChI=1S/C14H20ClNO2/c1-9(2)18-13-5-4-11(6-12(13)15)14-7-16-10(3)8-17-14/h4-6,9-10,14,16H,7-8H2,1-3H3
InChIKeyITOCJXZLXYQRGA-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.18
Rot. Bonds3

About 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine

2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine (PubChem CID 82305769) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine
PubChem CID82305769
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine
SMILESCC1COC(c2ccc(OC(C)C)c(Cl)c2)CN1
InChIInChI=1S/C14H20ClNO2/c1-9(2)18-13-5-4-11(6-12(13)15)14-7-16-10(3)8-17-14/h4-6,9-10,14,16H,7-8H2,1-3H3
InChIKeyITOCJXZLXYQRGA-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine (CID 82305769) is 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine is CC1COC(c2ccc(OC(C)C)c(Cl)c2)CN1.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine?
The InChIKey is ITOCJXZLXYQRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)18-13-5-4-11(6-12(13)15)14-7-16-10(3)8-17-14/h4-6,9-10,14,16H,7-8H2,1-3H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine?
2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine has a molecular weight of 269.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine is sourced from PubChem (CID 82305769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).