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

C15H22N2O2 — CID 116838153

IUPAC6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
SMILESCc1cc(C)c(C)c(N2CC(CN)OCC2=O)c1C
InChIInChI=1S/C15H22N2O2/c1-9-5-10(2)12(4)15(11(9)3)17-7-13(6-16)19-8-14(17)18/h5,13H,6-8,16H2,1-4H3
InChIKeyCFULCNKLAYBEOQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.61
Rot. Bonds2

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

6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one (PubChem CID 116838153) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
PubChem CID116838153
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
SMILESCc1cc(C)c(C)c(N2CC(CN)OCC2=O)c1C
InChIInChI=1S/C15H22N2O2/c1-9-5-10(2)12(4)15(11(9)3)17-7-13(6-16)19-8-14(17)18/h5,13H,6-8,16H2,1-4H3
InChIKeyCFULCNKLAYBEOQ-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one
CID 116838151
6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one
CID 116838162
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
CID 116838147
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
CID 75531174
methyl 4-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzoate
CID 117008948
2-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzonitrile
CID 117008949
6-(aminomethyl)-4-(1-methylpiperidin-4-yl)morpholin-3-one
CID 115102895
(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
CID 42249905
6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one
CID 115102999
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one (CID 116838153) is 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one is Cc1cc(C)c(C)c(N2CC(CN)OCC2=O)c1C.
What is the InChIKey of 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one?
The InChIKey is CFULCNKLAYBEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-5-10(2)12(4)15(11(9)3)17-7-13(6-16)19-8-14(17)18/h5,13H,6-8,16H2,1-4H3.
What are the key properties of 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one?
6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one has a molecular weight of 262.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one is sourced from PubChem (CID 116838153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).