2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone

C12H17N3O2 — CID 170860466

IUPAC2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
SMILESNCC(=O)c1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C12H17N3O2/c13-8-12(16)9-1-2-11(10(14)7-9)15-3-5-17-6-4-15/h1-2,7H,3-6,8,13-14H2
InChIKeyGOQYJOCJHLCGRC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.25
Rot. Bonds3

About 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone

2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone (PubChem CID 170860466) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
PubChem CID170860466
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
SMILESNCC(=O)c1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C12H17N3O2/c13-8-12(16)9-1-2-11(10(14)7-9)15-3-5-17-6-4-15/h1-2,7H,3-6,8,13-14H2
InChIKeyGOQYJOCJHLCGRC-UHFFFAOYSA-N
XLogP0.25
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
5-methyl-2-morpholin-4-ylaniline
CID 18952141
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
3,5-diamino-4-morpholin-4-ylbenzoic acid
CID 121474247
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone (CID 170860466) is 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone is NCC(=O)c1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone?
The InChIKey is GOQYJOCJHLCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-8-12(16)9-1-2-11(10(14)7-9)15-3-5-17-6-4-15/h1-2,7H,3-6,8,13-14H2.
What are the key properties of 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone?
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 170860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).