1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone

C14H20N2O3 — CID 82064195

IUPAC1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCN2CCOCC2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-11(17)12-2-3-14(13(15)10-12)19-9-6-16-4-7-18-8-5-16/h2-3,10H,4-9,15H2,1H3
InChIKeyOBIAFXYRVMBCDP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.18
Rot. Bonds5

About 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone

1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone (PubChem CID 82064195) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
PubChem CID82064195
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCN2CCOCC2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-11(17)12-2-3-14(13(15)10-12)19-9-6-16-4-7-18-8-5-16/h2-3,10H,4-9,15H2,1H3
InChIKeyOBIAFXYRVMBCDP-UHFFFAOYSA-N
XLogP1.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070467
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone (CID 82064195) is 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone is CC(=O)c1ccc(OCCN2CCOCC2)c(N)c1.
What is the InChIKey of 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone?
The InChIKey is OBIAFXYRVMBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(17)12-2-3-14(13(15)10-12)19-9-6-16-4-7-18-8-5-16/h2-3,10H,4-9,15H2,1H3.
What are the key properties of 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone?
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone is sourced from PubChem (CID 82064195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).