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

C14H20N2O2 — CID 114781933

IUPAC[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
SMILESCC1(C)CN(C(=O)c2ccccc2)CC(CN)O1
InChIInChI=1S/C14H20N2O2/c1-14(2)10-16(9-12(8-15)18-14)13(17)11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3
InChIKeyABKRZOZLNMCCSC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.26
Rot. Bonds2

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

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone (PubChem CID 114781933) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
PubChem CID114781933
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
SMILESCC1(C)CN(C(=O)c2ccccc2)CC(CN)O1
InChIInChI=1S/C14H20N2O2/c1-14(2)10-16(9-12(8-15)18-14)13(17)11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3
InChIKeyABKRZOZLNMCCSC-UHFFFAOYSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 114782065
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
CID 114781963
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114782009
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone (CID 114781933) is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The canonical SMILES for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone is CC1(C)CN(C(=O)c2ccccc2)CC(CN)O1.
What is the InChIKey of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The InChIKey is ABKRZOZLNMCCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)10-16(9-12(8-15)18-14)13(17)11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3.
What are the key properties of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.26, 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]-phenylmethanone is sourced from PubChem (CID 114781933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).