1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one

C16H24FNO2 — CID 126671921

IUPAC1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one
SMILESCCNCCOc1cc(F)cc(CCC(=O)C(C)C)c1
InChIInChI=1S/C16H24FNO2/c1-4-18-7-8-20-15-10-13(9-14(17)11-15)5-6-16(19)12(2)3/h9-12,18H,4-8H2,1-3H3
InChIKeyCDVJNQRPWROJMO-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.97
Rot. Bonds9

About 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one

1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one (PubChem CID 126671921) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one
PubChem CID126671921
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one
SMILESCCNCCOc1cc(F)cc(CCC(=O)C(C)C)c1
InChIInChI=1S/C16H24FNO2/c1-4-18-7-8-20-15-10-13(9-14(17)11-15)5-6-16(19)12(2)3/h9-12,18H,4-8H2,1-3H3
InChIKeyCDVJNQRPWROJMO-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.97
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

4-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pentan-3-one
CID 126654778
3-[3-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]propanoic acid
CID 126619985
1-[3-fluoro-5-[3-(1-sulfanylethylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one
CID 135216912
N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
CID 62347822
4-methyl-1-[3-[2-(methylsulfanylamino)ethoxy]phenyl]pentan-3-one
CID 167181303
4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen
CID 142365474
4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one
CID 142409708
1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one
CID 126672003
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
CID 167241747
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one?
The IUPAC name of 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one (CID 126671921) is 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one.
What is the SMILES notation for 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one?
The canonical SMILES for 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one is CCNCCOc1cc(F)cc(CCC(=O)C(C)C)c1.
What is the InChIKey of 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one?
The InChIKey is CDVJNQRPWROJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-18-7-8-20-15-10-13(9-14(17)11-15)5-6-16(19)12(2)3/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one?
1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one has a molecular weight of 281.37 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one is sourced from PubChem (CID 126671921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).