1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one

C17H26N2O2 — CID 114781963

IUPAC1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CC(CN)OC(C)(C)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-15(13-8-6-5-7-9-13)16(20)19-11-14(10-18)21-17(2,3)12-19/h5-9,14-15H,4,10-12,18H2,1-3H3
InChIKeyDNTNBYYZZRKSKD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds4

About 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one

1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one (PubChem CID 114781963) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
PubChem CID114781963
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CC(CN)OC(C)(C)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-15(13-8-6-5-7-9-13)16(20)19-11-14(10-18)21-17(2,3)12-19/h5-9,14-15H,4,10-12,18H2,1-3H3
InChIKeyDNTNBYYZZRKSKD-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
CID 114778645
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
CID 63753267
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 114782065
2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 106591897
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114782009
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-ethylbutan-1-one
CID 114781639
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(1-ethylcyclopentyl)methanone
CID 114782032

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one (CID 114781963) is 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CC(CN)OC(C)(C)C1)c1ccccc1.
What is the InChIKey of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one?
The InChIKey is DNTNBYYZZRKSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15(13-8-6-5-7-9-13)16(20)19-11-14(10-18)21-17(2,3)12-19/h5-9,14-15H,4,10-12,18H2,1-3H3.
What are the key properties of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one?
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 114781963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).