1-[3-(3-aminopropoxy)phenyl]ethanone

C11H15NO2 — CID 82146512

IUPAC1-[3-(3-aminopropoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCCCN)c1
InChIInChI=1S/C11H15NO2/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2,4-5,8H,3,6-7,12H2,1H3
InChIKeyIXLXZYSJQOBHCH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds5

About 1-[3-(3-aminopropoxy)phenyl]ethanone

1-[3-(3-aminopropoxy)phenyl]ethanone (PubChem CID 82146512) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-(3-aminopropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-aminopropoxy)phenyl]ethanone
PubChem CID82146512
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[3-(3-aminopropoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCCCN)c1
InChIInChI=1S/C11H15NO2/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2,4-5,8H,3,6-7,12H2,1H3
InChIKeyIXLXZYSJQOBHCH-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
CID 60917043
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189
2-(3-acetylphenoxy)ethyl-diethylazanium
CID 7273681
1-[3-(3,3-difluorobutoxy)phenyl]ethanone
CID 84691840
1-[3-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115881899
1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
CID 23520521

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(3-aminopropoxy)phenyl]ethanone (CID 82146512) is 1-[3-(3-aminopropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-aminopropoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-aminopropoxy)phenyl]ethanone is CC(=O)c1cccc(OCCCN)c1.
What is the InChIKey of 1-[3-(3-aminopropoxy)phenyl]ethanone?
The InChIKey is IXLXZYSJQOBHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2,4-5,8H,3,6-7,12H2,1H3.
What are the key properties of 1-[3-(3-aminopropoxy)phenyl]ethanone?
1-[3-(3-aminopropoxy)phenyl]ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropoxy)phenyl]ethanone is sourced from PubChem (CID 82146512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).