2-(2,4-dimethylphenyl)morpholine

C12H17NO — CID 43169334

IUPAC2-(2,4-dimethylphenyl)morpholine
SMILESCc1ccc(C2CNCCO2)c(C)c1
InChIInChI=1S/C12H17NO/c1-9-3-4-11(10(2)7-9)12-8-13-5-6-14-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyRTMGSKWGXJECPV-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds1

About 2-(2,4-dimethylphenyl)morpholine

2-(2,4-dimethylphenyl)morpholine (PubChem CID 43169334) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)morpholine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)morpholine
PubChem CID43169334
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2,4-dimethylphenyl)morpholine
SMILESCc1ccc(C2CNCCO2)c(C)c1
InChIInChI=1S/C12H17NO/c1-9-3-4-11(10(2)7-9)12-8-13-5-6-14-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyRTMGSKWGXJECPV-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)morpholine?
The IUPAC name of 2-(2,4-dimethylphenyl)morpholine (CID 43169334) is 2-(2,4-dimethylphenyl)morpholine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)morpholine?
The canonical SMILES for 2-(2,4-dimethylphenyl)morpholine is Cc1ccc(C2CNCCO2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)morpholine?
The InChIKey is RTMGSKWGXJECPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-4-11(10(2)7-9)12-8-13-5-6-14-12/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)morpholine?
2-(2,4-dimethylphenyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)morpholine is sourced from PubChem (CID 43169334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).