1-[2-(8-aminooctoxy)phenyl]ethanone

C16H25NO2 — CID 142412134

IUPAC1-[2-(8-aminooctoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCCCCCCCN
InChIInChI=1S/C16H25NO2/c1-14(18)15-10-6-7-11-16(15)19-13-9-5-3-2-4-8-12-17/h6-7,10-11H,2-5,8-9,12-13,17H2,1H3
InChIKeyCHOHZTIPVSPHGY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds10

About 1-[2-(8-aminooctoxy)phenyl]ethanone

1-[2-(8-aminooctoxy)phenyl]ethanone (PubChem CID 142412134) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(8-aminooctoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(8-aminooctoxy)phenyl]ethanone
PubChem CID142412134
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-(8-aminooctoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCCCCCCCN
InChIInChI=1S/C16H25NO2/c1-14(18)15-10-6-7-11-16(15)19-13-9-5-3-2-4-8-12-17/h6-7,10-11H,2-5,8-9,12-13,17H2,1H3
InChIKeyCHOHZTIPVSPHGY-UHFFFAOYSA-N
XLogP3.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(8-aminooctoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
2-amino-1-(2-hexadecoxyphenyl)ethanone
CID 170860308
2-[4-(2-acetylphenoxy)butyl]isoindole-1,3-dione
CID 112788844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-aminooctoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(8-aminooctoxy)phenyl]ethanone (CID 142412134) is 1-[2-(8-aminooctoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(8-aminooctoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(8-aminooctoxy)phenyl]ethanone is CC(=O)c1ccccc1OCCCCCCCCN.
What is the InChIKey of 1-[2-(8-aminooctoxy)phenyl]ethanone?
The InChIKey is CHOHZTIPVSPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(18)15-10-6-7-11-16(15)19-13-9-5-3-2-4-8-12-17/h6-7,10-11H,2-5,8-9,12-13,17H2,1H3.
What are the key properties of 1-[2-(8-aminooctoxy)phenyl]ethanone?
1-[2-(8-aminooctoxy)phenyl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-aminooctoxy)phenyl]ethanone is sourced from PubChem (CID 142412134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).