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

C13H18ClNO — CID 43366940

IUPAC2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
SMILESCC1NC(C)(C)COC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3
InChIKeyKLPHSXVQSDRPPX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.17
Rot. Bonds1

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

2-(3-chlorophenyl)-3,5,5-trimethylmorpholine (PubChem CID 43366940) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
PubChem CID43366940
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
SMILESCC1NC(C)(C)COC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3
InChIKeyKLPHSXVQSDRPPX-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
The IUPAC name of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine (CID 43366940) is 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
The canonical SMILES for 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine is CC1NC(C)(C)COC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
The InChIKey is KLPHSXVQSDRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
2-(3-chlorophenyl)-3,5,5-trimethylmorpholine has a molecular weight of 239.75 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine is sourced from PubChem (CID 43366940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).