(2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C14H18ClNO2 — CID 2961263

IUPAC(2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CC(C)OC(C)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-9-4-5-12(13(15)6-9)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3
InChIKeyQQCLUILDHVMCAZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.90
Rot. Bonds1

About (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2961263) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2961263
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CC(C)OC(C)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-9-4-5-12(13(15)6-9)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3
InChIKeyQQCLUILDHVMCAZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 2961263) is (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is Cc1ccc(C(=O)N2CC(C)OC(C)C2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is QQCLUILDHVMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-4-5-12(13(15)6-9)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2961263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).