3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one

C15H22N2O3 — CID 120610994

IUPAC3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
SMILESCOCC1CN(C(=O)CCc2ccccc2N)CCO1
InChIInChI=1S/C15H22N2O3/c1-19-11-13-10-17(8-9-20-13)15(18)7-6-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3
InChIKeyZPZIHFYMBXBXGQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.08
Rot. Bonds5

About 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one

3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 120610994) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
PubChem CID120610994
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
SMILESCOCC1CN(C(=O)CCc2ccccc2N)CCO1
InChIInChI=1S/C15H22N2O3/c1-19-11-13-10-17(8-9-20-13)15(18)7-6-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3
InChIKeyZPZIHFYMBXBXGQ-UHFFFAOYSA-N
XLogP1.08
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119945594
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
CID 120611548
4-amino-1-[2-(methoxymethyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120562971
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81197579
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120610223
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612661

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one (CID 120610994) is 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one is COCC1CN(C(=O)CCc2ccccc2N)CCO1.
What is the InChIKey of 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is ZPZIHFYMBXBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-13-10-17(8-9-20-13)15(18)7-6-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3.
What are the key properties of 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one?
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 120610994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).