1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone

C17H18FNO2 — CID 133434709

IUPAC1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCCc1ccc(CO)cc1
InChIInChI=1S/C17H18FNO2/c1-12(21)17-15(18)3-2-4-16(17)19-10-9-13-5-7-14(11-20)8-6-13/h2-8,19-20H,9-11H2,1H3
InChIKeyZRZRLQAKYTXHLI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.18
Rot. Bonds6

About 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone

1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone (PubChem CID 133434709) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone
PubChem CID133434709
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCCc1ccc(CO)cc1
InChIInChI=1S/C17H18FNO2/c1-12(21)17-15(18)3-2-4-16(17)19-10-9-13-5-7-14(11-20)8-6-13/h2-8,19-20H,9-11H2,1H3
InChIKeyZRZRLQAKYTXHLI-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
CID 78897897
1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
CID 75442202
N-[4-[2-(2-cyano-3-fluoroanilino)ethyl]phenyl]acetamide
CID 133287982
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
1-[2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-6-fluorophenyl]ethanone
CID 133433973
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
CID 52566383
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone
CID 51075157

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone (CID 133434709) is 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone is CC(=O)c1c(F)cccc1NCCc1ccc(CO)cc1.
What is the InChIKey of 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone?
The InChIKey is ZRZRLQAKYTXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(21)17-15(18)3-2-4-16(17)19-10-9-13-5-7-14(11-20)8-6-13/h2-8,19-20H,9-11H2,1H3.
What are the key properties of 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone?
1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone has a molecular weight of 287.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone is sourced from PubChem (CID 133434709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).