1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone

C16H15ClFNO — CID 102622133

IUPAC1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H15ClFNO/c17-15-6-5-13(18)9-12(15)10-16(20)14-4-2-1-3-11(14)7-8-19/h1-6,9H,7-8,10,19H2
InChIKeyUBMFMZIQERAJFU-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone

1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone (PubChem CID 102622133) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
PubChem CID102622133
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
SMILESNCCc1ccccc1C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H15ClFNO/c17-15-6-5-13(18)9-12(15)10-16(20)14-4-2-1-3-11(14)7-8-19/h1-6,9H,7-8,10,19H2
InChIKeyUBMFMZIQERAJFU-UHFFFAOYSA-N
XLogP3.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
1-[2-(2-aminoethyl)phenyl]-2-(2,6-dichlorophenyl)ethanone
CID 116577372
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone (CID 102622133) is 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone is NCCc1ccccc1C(=O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone?
The InChIKey is UBMFMZIQERAJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-15-6-5-13(18)9-12(15)10-16(20)14-4-2-1-3-11(14)7-8-19/h1-6,9H,7-8,10,19H2.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone?
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone has a molecular weight of 291.75 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone is sourced from PubChem (CID 102622133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).