(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone

C20H23NO2 — CID 110644004

IUPAC(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C20H23NO2/c1-15-8-6-7-11-19(15)20(22)21-13-18(23-14-16(21)2)12-17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3
InChIKeyJKNIUABBQPLNNV-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.47
Rot. Bonds3

About (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone

(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone (PubChem CID 110644004) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
PubChem CID110644004
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C20H23NO2/c1-15-8-6-7-11-19(15)20(22)21-13-18(23-14-16(21)2)12-17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3
InChIKeyJKNIUABBQPLNNV-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone?
The IUPAC name of (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone (CID 110644004) is (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CC(Cc2ccccc2)OCC1C.
What is the InChIKey of (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone?
The InChIKey is JKNIUABBQPLNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-8-6-7-11-19(15)20(22)21-13-18(23-14-16(21)2)12-17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3.
What are the key properties of (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone?
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 110644004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).