2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone

C17H18FNO2 — CID 62114939

IUPAC2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(CCO)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c18-16-8-6-15(7-9-16)17(21)13-19(10-11-20)12-14-4-2-1-3-5-14/h1-9,20H,10-13H2
InChIKeyPHYOVNXTODTOHZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.50
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone

2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone (PubChem CID 62114939) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
PubChem CID62114939
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(CCO)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c18-16-8-6-15(7-9-16)17(21)13-19(10-11-20)12-14-4-2-1-3-5-14/h1-9,20H,10-13H2
InChIKeyPHYOVNXTODTOHZ-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
CID 170711377
3-[benzyl(phenacyl)amino]propanenitrile
CID 12922240
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833
N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
CID 15536548
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone (CID 62114939) is 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone is O=C(CN(CCO)Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone?
The InChIKey is PHYOVNXTODTOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-16-8-6-15(7-9-16)17(21)13-19(10-11-20)12-14-4-2-1-3-5-14/h1-9,20H,10-13H2.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone?
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone has a molecular weight of 287.33 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 62114939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).