1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone

C16H15F2NO — CID 116577788

IUPAC1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
SMILESNCCc1ccc(C(=O)Cc2cccc(F)c2F)cc1
InChIInChI=1S/C16H15F2NO/c17-14-3-1-2-13(16(14)18)10-15(20)12-6-4-11(5-7-12)8-9-19/h1-7H,8-10,19H2
InChIKeyVSODUMREVWUWTB-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone

1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone (PubChem CID 116577788) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
PubChem CID116577788
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
SMILESNCCc1ccc(C(=O)Cc2cccc(F)c2F)cc1
InChIInChI=1S/C16H15F2NO/c17-14-3-1-2-13(16(14)18)10-15(20)12-6-4-11(5-7-12)8-9-19/h1-7H,8-10,19H2
InChIKeyVSODUMREVWUWTB-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052370
2-(2-fluorophenyl)-1-(4-propylphenyl)ethanone
CID 43338005
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116577619
1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone
CID 115807934
1-[4-(2-aminoethyl)phenyl]-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272613
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
CID 63933039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone (CID 116577788) is 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone is NCCc1ccc(C(=O)Cc2cccc(F)c2F)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone?
The InChIKey is VSODUMREVWUWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-14-3-1-2-13(16(14)18)10-15(20)12-6-4-11(5-7-12)8-9-19/h1-7H,8-10,19H2.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone?
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone has a molecular weight of 275.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 116577788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).