3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

C14H20N2O2 — CID 107210628

IUPAC3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)CCc2cccc(N)c2)C1
InChIInChI=1S/C14H20N2O2/c1-2-14(18)9-16(10-14)13(17)7-6-11-4-3-5-12(15)8-11/h3-5,8,18H,2,6-7,9-10,15H2,1H3
InChIKeySOSXIZMHPJMSPL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds4

About 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 107210628) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID107210628
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)CCc2cccc(N)c2)C1
InChIInChI=1S/C14H20N2O2/c1-2-14(18)9-16(10-14)13(17)7-6-11-4-3-5-12(15)8-11/h3-5,8,18H,2,6-7,9-10,15H2,1H3
InChIKeySOSXIZMHPJMSPL-UHFFFAOYSA-N
XLogP1.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-aminophenyl)propanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 115341444
3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495477
3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43309005
3-(3-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 112623821
3-(3-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369331
3-(3-aminophenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 115341158
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
3-(4-aminophenyl)-1-(3-hydroxy-3-methylazetidin-1-yl)propan-1-one
CID 107210532
3-(3-aminophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489256
methyl 1-[3-(3-aminophenyl)propanoyl]piperidine-3-carboxylate
CID 115533094
3-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409448
ethyl 4-(3-aminophenyl)butanoate
CID 66895353

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (CID 107210628) is 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is CCC1(O)CN(C(=O)CCc2cccc(N)c2)C1.
What is the InChIKey of 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is SOSXIZMHPJMSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-14(18)9-16(10-14)13(17)7-6-11-4-3-5-12(15)8-11/h3-5,8,18H,2,6-7,9-10,15H2,1H3.
What are the key properties of 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 107210628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).