1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one

C13H18N2O2 — CID 59631041

IUPAC1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(N)cc(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O2/c1-10(16)6-11-7-12(14)9-13(8-11)15-2-4-17-5-3-15/h7-9H,2-6,14H2,1H3
InChIKeyWKSFPCNPJZNYCF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.24
Rot. Bonds3

About 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one

1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one (PubChem CID 59631041) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one
PubChem CID59631041
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(N)cc(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O2/c1-10(16)6-11-7-12(14)9-13(8-11)15-2-4-17-5-3-15/h7-9H,2-6,14H2,1H3
InChIKeyWKSFPCNPJZNYCF-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.24
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

3-amino-5-morpholin-4-ylbenzoic acid
CID 67513749
3-amino-5-morpholin-4-ylphenol
CID 155639936
1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one
CID 117480032
1-[3-amino-5-(chloromethyl)phenyl]propan-2-one
CID 131010312
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
3-methoxy-5-(1,4-oxazepan-4-yl)aniline
CID 80735841
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one?
The IUPAC name of 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one (CID 59631041) is 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one?
The canonical SMILES for 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one is CC(=O)Cc1cc(N)cc(N2CCOCC2)c1.
What is the InChIKey of 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one?
The InChIKey is WKSFPCNPJZNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)6-11-7-12(14)9-13(8-11)15-2-4-17-5-3-15/h7-9H,2-6,14H2,1H3.
What are the key properties of 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one?
1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one is sourced from PubChem (CID 59631041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).