[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone

C15H22N2O4 — CID 114781975

IUPAC[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-15(2)9-17(8-11(7-16)21-15)14(19)12-6-10(20-3)4-5-13(12)18/h4-6,11,18H,7-9,16H2,1-3H3
InChIKeyOOVBJOQYVNNXED-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.98
Rot. Bonds3

About [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 114781975) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID114781975
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-15(2)9-17(8-11(7-16)21-15)14(19)12-6-10(20-3)4-5-13(12)18/h4-6,11,18H,7-9,16H2,1-3H3
InChIKeyOOVBJOQYVNNXED-UHFFFAOYSA-N
XLogP0.98
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776038
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114781415
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 114782065
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114782009
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114781126
(2-hydroxy-5-methoxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875374

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone (CID 114781975) is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)N2CC(CN)OC(C)(C)C2)c1.
What is the InChIKey of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is OOVBJOQYVNNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2)9-17(8-11(7-16)21-15)14(19)12-6-10(20-3)4-5-13(12)18/h4-6,11,18H,7-9,16H2,1-3H3.
What are the key properties of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 114781975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).