4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one

C14H20FNO2 — CID 142409708

IUPAC4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one
SMILESCCNCCOc1ccc(F)c(CCC(C)=O)c1
InChIInChI=1S/C14H20FNO2/c1-3-16-8-9-18-13-6-7-14(15)12(10-13)5-4-11(2)17/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyZRKKIWCTNNRCNF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.34
Rot. Bonds8

About 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one

4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one (PubChem CID 142409708) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one.

Molecular Properties

Compound Name4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one
PubChem CID142409708
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one
SMILESCCNCCOc1ccc(F)c(CCC(C)=O)c1
InChIInChI=1S/C14H20FNO2/c1-3-16-8-9-18-13-6-7-14(15)12(10-13)5-4-11(2)17/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyZRKKIWCTNNRCNF-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.34
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-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen
CID 142365474
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
8-(2-fluoro-5-propoxyphenyl)-2-methyloctan-3-one
CID 157048856
4-[2-(2,5-difluorophenyl)ethylamino]butan-2-one
CID 115235909
1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
CID 167241747
1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one
CID 126671921
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
CID 115236677

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one?
The IUPAC name of 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one (CID 142409708) is 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one.
What is the SMILES notation for 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one?
The canonical SMILES for 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one is CCNCCOc1ccc(F)c(CCC(C)=O)c1.
What is the InChIKey of 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one?
The InChIKey is ZRKKIWCTNNRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-16-8-9-18-13-6-7-14(15)12(10-13)5-4-11(2)17/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one?
4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one has a molecular weight of 253.32 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one is sourced from PubChem (CID 142409708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).