(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone

C14H19NO2 — CID 79077705

IUPAC(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)C2CN(C)CCO2)c1
InChIInChI=1S/C14H19NO2/c1-10-4-5-11(2)12(8-10)14(16)13-9-15(3)6-7-17-13/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyYVJDQUYYONEGTH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.82
Rot. Bonds2

About (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone

(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone (PubChem CID 79077705) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone
PubChem CID79077705
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)C2CN(C)CCO2)c1
InChIInChI=1S/C14H19NO2/c1-10-4-5-11(2)12(8-10)14(16)13-9-15(3)6-7-17-13/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyYVJDQUYYONEGTH-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone (CID 79077705) is (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone is Cc1ccc(C)c(C(=O)C2CN(C)CCO2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone?
The InChIKey is YVJDQUYYONEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-5-11(2)12(8-10)14(16)13-9-15(3)6-7-17-13/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone?
(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 79077705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).