3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one

C13H17NO2 — CID 117312431

IUPAC3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1OC1CCC1
InChIInChI=1S/C13H17NO2/c14-9-8-12(15)11-6-1-2-7-13(11)16-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,14H2
InChIKeyKAMXDEMNSKFXOA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds5

About 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one

3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one (PubChem CID 117312431) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
PubChem CID117312431
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1OC1CCC1
InChIInChI=1S/C13H17NO2/c14-9-8-12(15)11-6-1-2-7-13(11)16-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,14H2
InChIKeyKAMXDEMNSKFXOA-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one
CID 115618714
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one (CID 117312431) is 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one is NCCC(=O)c1ccccc1OC1CCC1.
What is the InChIKey of 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one?
The InChIKey is KAMXDEMNSKFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-9-8-12(15)11-6-1-2-7-13(11)16-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,14H2.
What are the key properties of 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one?
3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one is sourced from PubChem (CID 117312431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).