1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone

C17H20N2O2 — CID 69354828

IUPAC1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone
SMILESCCc1ccc(CCOCC(=O)c2ccc(N)cc2)nc1
InChIInChI=1S/C17H20N2O2/c1-2-13-3-8-16(19-11-13)9-10-21-12-17(20)14-4-6-15(18)7-5-14/h3-8,11H,2,9-10,12,18H2,1H3
InChIKeyJDMWQHFPFBVJAP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.67
Rot. Bonds7

About 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone

1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone (PubChem CID 69354828) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone
PubChem CID69354828
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone
SMILESCCc1ccc(CCOCC(=O)c2ccc(N)cc2)nc1
InChIInChI=1S/C17H20N2O2/c1-2-13-3-8-16(19-11-13)9-10-21-12-17(20)14-4-6-15(18)7-5-14/h3-8,11H,2,9-10,12,18H2,1H3
InChIKeyJDMWQHFPFBVJAP-UHFFFAOYSA-N
XLogP2.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone (CID 69354828) is 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone is CCc1ccc(CCOCC(=O)c2ccc(N)cc2)nc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone?
The InChIKey is JDMWQHFPFBVJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-13-3-8-16(19-11-13)9-10-21-12-17(20)14-4-6-15(18)7-5-14/h3-8,11H,2,9-10,12,18H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone?
1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone is sourced from PubChem (CID 69354828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).