1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone

C18H20FNO — CID 50965845

IUPAC1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cccc(C(C)N(C)C)c1
InChIInChI=1S/C18H20FNO/c1-12(20(3)4)14-6-5-7-15(10-14)18-11-16(19)8-9-17(18)13(2)21/h5-12H,1-4H3
InChIKeyYUKHJOVLGNSCNC-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.32
Rot. Bonds4

About 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone

1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone (PubChem CID 50965845) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone
PubChem CID50965845
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cccc(C(C)N(C)C)c1
InChIInChI=1S/C18H20FNO/c1-12(20(3)4)14-6-5-7-15(10-14)18-11-16(19)8-9-17(18)13(2)21/h5-12H,1-4H3
InChIKeyYUKHJOVLGNSCNC-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone (CID 50965845) is 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1-c1cccc(C(C)N(C)C)c1.
What is the InChIKey of 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone?
The InChIKey is YUKHJOVLGNSCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(20(3)4)14-6-5-7-15(10-14)18-11-16(19)8-9-17(18)13(2)21/h5-12H,1-4H3.
What are the key properties of 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone?
1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone has a molecular weight of 285.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[1-(dimethylamino)ethyl]phenyl]-4-fluorophenyl]ethanone is sourced from PubChem (CID 50965845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).