2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C16H22N2O2 — CID 106591460

IUPAC2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCC(C(=O)N1C2CCC1CC(O)C2)c1cccc(N)c1
InChIInChI=1S/C16H22N2O2/c1-10(11-3-2-4-12(17)7-11)16(20)18-13-5-6-14(18)9-15(19)8-13/h2-4,7,10,13-15,19H,5-6,8-9,17H2,1H3
InChIKeyZFXCOSCPEZGZTG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.89
Rot. Bonds2

About 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 106591460) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID106591460
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCC(C(=O)N1C2CCC1CC(O)C2)c1cccc(N)c1
InChIInChI=1S/C16H22N2O2/c1-10(11-3-2-4-12(17)7-11)16(20)18-13-5-6-14(18)9-15(19)8-13/h2-4,7,10,13-15,19H,5-6,8-9,17H2,1H3
InChIKeyZFXCOSCPEZGZTG-UHFFFAOYSA-N
XLogP1.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.89
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-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone
CID 98176888
2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106591734
(2R)-2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone
CID 55237223
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764292
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 106591144
2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
CID 106591103
2-(3-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107210059
4-[2-(3-aminophenyl)propanoyl]piperazine-2,6-dione
CID 106591581
2-(3-aminophenyl)propanoate
CID 71650577
2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667028
2-(3-aminophenyl)-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 106591777

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 106591460) is 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is CC(C(=O)N1C2CCC1CC(O)C2)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is ZFXCOSCPEZGZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(11-3-2-4-12(17)7-11)16(20)18-13-5-6-14(18)9-15(19)8-13/h2-4,7,10,13-15,19H,5-6,8-9,17H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 106591460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).