1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one

C15H22FNO2 — CID 114228965

IUPAC1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one
SMILESCCN(CCC(=O)C(C)(C)OC)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-5-17(13-8-6-12(16)7-9-13)11-10-14(18)15(2,3)19-4/h6-9H,5,10-11H2,1-4H3
InChIKeySRTUXAYLDZVVPE-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.04
Rot. Bonds7

About 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one

1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one (PubChem CID 114228965) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one
PubChem CID114228965
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one
SMILESCCN(CCC(=O)C(C)(C)OC)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-5-17(13-8-6-12(16)7-9-13)11-10-14(18)15(2,3)19-4/h6-9H,5,10-11H2,1-4H3
InChIKeySRTUXAYLDZVVPE-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one (CID 114228965) is 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one is CCN(CCC(=O)C(C)(C)OC)c1ccc(F)cc1.
What is the InChIKey of 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one?
The InChIKey is SRTUXAYLDZVVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-17(13-8-6-12(16)7-9-13)11-10-14(18)15(2,3)19-4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one?
1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one has a molecular weight of 267.34 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114228965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).