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

C16H24N2O2 — CID 114782044

IUPAC[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-12(2)14(7-11)15(19)18-9-13(8-17)20-16(3,4)10-18/h5-7,13H,8-10,17H2,1-4H3
InChIKeyMPORGRMBGFMJDF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds2

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

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 114782044) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
PubChem CID114782044
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-12(2)14(7-11)15(19)18-9-13(8-17)20-16(3,4)10-18/h5-7,13H,8-10,17H2,1-4H3
InChIKeyMPORGRMBGFMJDF-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 114782065
(2-bromo-5-methylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114777027
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114781126
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 114781975
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114782009
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782154

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone (CID 114782044) is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CC(CN)OC(C)(C)C2)c1.
What is the InChIKey of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is MPORGRMBGFMJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-6-12(2)14(7-11)15(19)18-9-13(8-17)20-16(3,4)10-18/h5-7,13H,8-10,17H2,1-4H3.
What are the key properties of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone?
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 114782044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).