6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one

C14H20N2O3 — CID 116838151

IUPAC6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one
SMILESCOc1cc(C)c(C)cc1N1CC(CN)OCC1=O
InChIInChI=1S/C14H20N2O3/c1-9-4-12(13(18-3)5-10(9)2)16-7-11(6-15)19-8-14(16)17/h4-5,11H,6-8,15H2,1-3H3
InChIKeyCLRBYFGBFHTCEM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.00
Rot. Bonds3

About 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one

6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one (PubChem CID 116838151) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one
PubChem CID116838151
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one
SMILESCOc1cc(C)c(C)cc1N1CC(CN)OCC1=O
InChIInChI=1S/C14H20N2O3/c1-9-4-12(13(18-3)5-10(9)2)16-7-11(6-15)19-8-14(16)17/h4-5,11H,6-8,15H2,1-3H3
InChIKeyCLRBYFGBFHTCEM-UHFFFAOYSA-N
XLogP1.00
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
CID 116838153
5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
4-(aminomethyl)-1-(5-chloro-2-methoxy-4-methylphenyl)pyrrolidin-2-one
CID 83556585
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
methyl 4-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzoate
CID 117008948
5-(aminomethyl)-3-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838111
6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
CID 116838147
6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
CID 75531174
(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
CID 42249905
5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 116838121
1-(4-methoxy-2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 82501256

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one (CID 116838151) is 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one is COc1cc(C)c(C)cc1N1CC(CN)OCC1=O.
What is the InChIKey of 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one?
The InChIKey is CLRBYFGBFHTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-4-12(13(18-3)5-10(9)2)16-7-11(6-15)19-8-14(16)17/h4-5,11H,6-8,15H2,1-3H3.
What are the key properties of 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one?
6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one has a molecular weight of 264.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one is sourced from PubChem (CID 116838151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).