2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone

C17H18FNO — CID 116613196

IUPAC2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-19-11-10-14-4-2-3-5-16(14)17(20)12-13-6-8-15(18)9-7-13/h2-9,19H,10-12H2,1H3
InChIKeyJPTSTGYNXZFMOE-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.01
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone

2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (PubChem CID 116613196) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
PubChem CID116613196
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-19-11-10-14-4-2-3-5-16(14)17(20)12-13-6-8-15(18)9-7-13/h2-9,19H,10-12H2,1H3
InChIKeyJPTSTGYNXZFMOE-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
2-[2-(methylamino)ethyl]benzamide
CID 69094527
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613286
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613356
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (CID 116613196) is 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is CNCCc1ccccc1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The InChIKey is JPTSTGYNXZFMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-11-10-14-4-2-3-5-16(14)17(20)12-13-6-8-15(18)9-7-13/h2-9,19H,10-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is sourced from PubChem (CID 116613196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).