2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one

C17H26N2O2 — CID 115432162

IUPAC2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-17(4-2,13-18)16(20)19-10-11-21-15(12-19)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,18H2,1-2H3
InChIKeyGBIYLHXXOQTRKR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one

2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one (PubChem CID 115432162) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one
PubChem CID115432162
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-17(4-2,13-18)16(20)19-10-11-21-15(12-19)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,18H2,1-2H3
InChIKeyGBIYLHXXOQTRKR-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 79806023
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one (CID 115432162) is 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one is CCC(CC)(CN)C(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one?
The InChIKey is GBIYLHXXOQTRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(4-2,13-18)16(20)19-10-11-21-15(12-19)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one?
2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 115432162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).