2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine

C20H32N2O2 — CID 119033910

IUPAC2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
SMILESCc1ccccc1C(CN1CCOCC1)NC1CC(C)OC(C)C1
InChIInChI=1S/C20H32N2O2/c1-15-6-4-5-7-19(15)20(14-22-8-10-23-11-9-22)21-18-12-16(2)24-17(3)13-18/h4-7,16-18,20-21H,8-14H2,1-3H3
InChIKeyVLSGXEWIJMKERW-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.91
Rot. Bonds5

About 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine

2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine (PubChem CID 119033910) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
PubChem CID119033910
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
SMILESCc1ccccc1C(CN1CCOCC1)NC1CC(C)OC(C)C1
InChIInChI=1S/C20H32N2O2/c1-15-6-4-5-7-19(15)20(14-22-8-10-23-11-9-22)21-18-12-16(2)24-17(3)13-18/h4-7,16-18,20-21H,8-14H2,1-3H3
InChIKeyVLSGXEWIJMKERW-UHFFFAOYSA-N
XLogP2.91
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine (CID 119033910) is 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine is Cc1ccccc1C(CN1CCOCC1)NC1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
The InChIKey is VLSGXEWIJMKERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15-6-4-5-7-19(15)20(14-22-8-10-23-11-9-22)21-18-12-16(2)24-17(3)13-18/h4-7,16-18,20-21H,8-14H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine has a molecular weight of 332.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine is sourced from PubChem (CID 119033910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).