1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone

C16H16ClNO2 — CID 82095847

IUPAC1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-12(19)13-2-6-15(7-3-13)18-10-11-20-16-8-4-14(17)5-9-16/h2-9,18H,10-11H2,1H3
InChIKeyOKVMALNMPGPPOY-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone

1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone (PubChem CID 82095847) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
PubChem CID82095847
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-12(19)13-2-6-15(7-3-13)18-10-11-20-16-8-4-14(17)5-9-16/h2-9,18H,10-11H2,1H3
InChIKeyOKVMALNMPGPPOY-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.03
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

methyl 4-[2-(4-chloroanilino)ethoxy]benzoate
CID 15086593
1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone
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1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
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N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
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2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
3-[2-(4-chlorophenoxy)ethylamino]benzoic acid
CID 82096042
methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
CID 14882869
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
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4-chloro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55092712

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone (CID 82095847) is 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone is CC(=O)c1ccc(NCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone?
The InChIKey is OKVMALNMPGPPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12(19)13-2-6-15(7-3-13)18-10-11-20-16-8-4-14(17)5-9-16/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone?
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone has a molecular weight of 289.76 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone is sourced from PubChem (CID 82095847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).