[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C16H24N2O3 — CID 102936167

IUPAC[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C16H24N2O3/c1-4-17-15-6-5-11(2)7-14(15)16(20)18-8-12(3)21-13(9-18)10-19/h5-7,12-13,17,19H,4,8-10H2,1-3H3
InChIKeyZISJFLBWUQYJJM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.65
Rot. Bonds4

About [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102936167) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102936167
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C16H24N2O3/c1-4-17-15-6-5-11(2)7-14(15)16(20)18-8-12(3)21-13(9-18)10-19/h5-7,12-13,17,19H,4,8-10H2,1-3H3
InChIKeyZISJFLBWUQYJJM-UHFFFAOYSA-N
XLogP1.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102936167) is [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CCNc1ccc(C)cc1C(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is ZISJFLBWUQYJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-15-6-5-11(2)7-14(15)16(20)18-8-12(3)21-13(9-18)10-19/h5-7,12-13,17,19H,4,8-10H2,1-3H3.
What are the key properties of [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102936167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).