6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one

C15H22N2O2 — CID 115068137

IUPAC6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CC(C)(CCCN)OCC2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-12-4-6-13(7-5-12)17-11-15(2,8-3-9-16)19-10-14(17)18/h4-7H,3,8-11,16H2,1-2H3
InChIKeyQHNWXYZQIYGHGZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds4

About 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one

6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one (PubChem CID 115068137) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
PubChem CID115068137
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CC(C)(CCCN)OCC2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-12-4-6-13(7-5-12)17-11-15(2,8-3-9-16)19-10-14(17)18/h4-7H,3,8-11,16H2,1-2H3
InChIKeyQHNWXYZQIYGHGZ-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115067682
6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one
CID 115068146
6-(aminomethyl)-6-methyl-4-(3-methylphenyl)morpholin-3-one
CID 115068016
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115065215
(3aR,6S,7aR)-2,2-dimethyl-4'-(4-methylphenyl)spiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione
CID 25177957
2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid
CID 115068225
4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
CID 115067563
4-(4-fluorophenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068187
4-tert-butyl-6-(2-hydroxyethyl)-6-methylmorpholin-3-one
CID 115067698
6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
CID 115060311
6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
CID 115060310
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
CID 144760105

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
The IUPAC name of 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one (CID 115068137) is 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one.
What is the SMILES notation for 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
The canonical SMILES for 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one is Cc1ccc(N2CC(C)(CCCN)OCC2=O)cc1.
What is the InChIKey of 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
The InChIKey is QHNWXYZQIYGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-6-13(7-5-12)17-11-15(2,8-3-9-16)19-10-14(17)18/h4-7H,3,8-11,16H2,1-2H3.
What are the key properties of 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one?
6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one has a molecular weight of 262.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one is sourced from PubChem (CID 115068137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).