1-(4-amino-3-hexoxyphenyl)ethanone

C14H21NO2 — CID 57381778

IUPAC1-(4-amino-3-hexoxyphenyl)ethanone
SMILESCCCCCCOc1cc(C(C)=O)ccc1N
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-9-17-14-10-12(11(2)16)7-8-13(14)15/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyZUXAFYNSJXDYSL-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.43
Rot. Bonds7

About 1-(4-amino-3-hexoxyphenyl)ethanone

1-(4-amino-3-hexoxyphenyl)ethanone (PubChem CID 57381778) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-amino-3-hexoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-hexoxyphenyl)ethanone
PubChem CID57381778
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-amino-3-hexoxyphenyl)ethanone
SMILESCCCCCCOc1cc(C(C)=O)ccc1N
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-9-17-14-10-12(11(2)16)7-8-13(14)15/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyZUXAFYNSJXDYSL-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-hexoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-hexoxyphenyl)ethanone (CID 57381778) is 1-(4-amino-3-hexoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-hexoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-hexoxyphenyl)ethanone is CCCCCCOc1cc(C(C)=O)ccc1N.
What is the InChIKey of 1-(4-amino-3-hexoxyphenyl)ethanone?
The InChIKey is ZUXAFYNSJXDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-5-6-9-17-14-10-12(11(2)16)7-8-13(14)15/h7-8,10H,3-6,9,15H2,1-2H3.
What are the key properties of 1-(4-amino-3-hexoxyphenyl)ethanone?
1-(4-amino-3-hexoxyphenyl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-hexoxyphenyl)ethanone is sourced from PubChem (CID 57381778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).