3-(2-chlorophenyl)-3,5,5-trimethylmorpholine

C13H18ClNO — CID 70166373

IUPAC3-(2-chlorophenyl)-3,5,5-trimethylmorpholine
SMILESCC1(C)COCC(C)(c2ccccc2Cl)N1
InChIInChI=1S/C13H18ClNO/c1-12(2)8-16-9-13(3,15-12)10-6-4-5-7-11(10)14/h4-7,15H,8-9H2,1-3H3
InChIKeyQITDMFQFEVPUFE-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.95
Rot. Bonds1

About 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine

3-(2-chlorophenyl)-3,5,5-trimethylmorpholine (PubChem CID 70166373) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3,5,5-trimethylmorpholine
PubChem CID70166373
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(2-chlorophenyl)-3,5,5-trimethylmorpholine
SMILESCC1(C)COCC(C)(c2ccccc2Cl)N1
InChIInChI=1S/C13H18ClNO/c1-12(2)8-16-9-13(3,15-12)10-6-4-5-7-11(10)14/h4-7,15H,8-9H2,1-3H3
InChIKeyQITDMFQFEVPUFE-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine?
The IUPAC name of 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine (CID 70166373) is 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine.
What is the SMILES notation for 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine?
The canonical SMILES for 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine is CC1(C)COCC(C)(c2ccccc2Cl)N1.
What is the InChIKey of 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine?
The InChIKey is QITDMFQFEVPUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-12(2)8-16-9-13(3,15-12)10-6-4-5-7-11(10)14/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine?
3-(2-chlorophenyl)-3,5,5-trimethylmorpholine has a molecular weight of 239.75 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3,5,5-trimethylmorpholine is sourced from PubChem (CID 70166373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).