2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine

C15H23NO — CID 79247041

IUPAC2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine
SMILESCc1ccc(C2CNC(C(C)C)CO2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10(2)14-9-17-15(8-16-14)13-6-5-11(3)7-12(13)4/h5-7,10,14-16H,8-9H2,1-4H3
InChIKeyAYUNOCLIWOTLTM-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine

2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine (PubChem CID 79247041) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine
PubChem CID79247041
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine
SMILESCc1ccc(C2CNC(C(C)C)CO2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10(2)14-9-17-15(8-16-14)13-6-5-11(3)7-12(13)4/h5-7,10,14-16H,8-9H2,1-4H3
InChIKeyAYUNOCLIWOTLTM-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
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)-5-propan-2-ylmorpholine?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine (CID 79247041) is 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine is Cc1ccc(C2CNC(C(C)C)CO2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine?
The InChIKey is AYUNOCLIWOTLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)14-9-17-15(8-16-14)13-6-5-11(3)7-12(13)4/h5-7,10,14-16H,8-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine?
2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine is sourced from PubChem (CID 79247041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).