[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone

C14H20N2O4 — CID 107691468

IUPAC[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
SMILESCC1(C)CN(C(=O)c2c(O)cccc2O)CC(CN)O1
InChIInChI=1S/C14H20N2O4/c1-14(2)8-16(7-9(6-15)20-14)13(19)12-10(17)4-3-5-11(12)18/h3-5,9,17-18H,6-8,15H2,1-2H3
InChIKeyBUHHJHVSBHMJLR-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.68
Rot. Bonds2

About [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone (PubChem CID 107691468) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
PubChem CID107691468
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
SMILESCC1(C)CN(C(=O)c2c(O)cccc2O)CC(CN)O1
InChIInChI=1S/C14H20N2O4/c1-14(2)8-16(7-9(6-15)20-14)13(19)12-10(17)4-3-5-11(12)18/h3-5,9,17-18H,6-8,15H2,1-2H3
InChIKeyBUHHJHVSBHMJLR-UHFFFAOYSA-N
XLogP0.68
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 114782065
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 114781975
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
CID 114781963
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114782009
(2-bromo-6-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781263
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone (CID 107691468) is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone is CC1(C)CN(C(=O)c2c(O)cccc2O)CC(CN)O1.
What is the InChIKey of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone?
The InChIKey is BUHHJHVSBHMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2)8-16(7-9(6-15)20-14)13(19)12-10(17)4-3-5-11(12)18/h3-5,9,17-18H,6-8,15H2,1-2H3.
What are the key properties of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone?
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone has a molecular weight of 280.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 107691468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).