2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one

C18H20FNO — CID 18755066

IUPAC2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-18(20(2)3,13-14-7-5-4-6-8-14)17(21)15-9-11-16(19)12-10-15/h4-12H,13H2,1-3H3
InChIKeyIWNBCHFEQQACFM-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.57
Rot. Bonds5

About 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one

2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one (PubChem CID 18755066) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one
PubChem CID18755066
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-18(20(2)3,13-14-7-5-4-6-8-14)17(21)15-9-11-16(19)12-10-15/h4-12H,13H2,1-3H3
InChIKeyIWNBCHFEQQACFM-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one (CID 18755066) is 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one is CN(C)C(C)(Cc1ccccc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is IWNBCHFEQQACFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-18(20(2)3,13-14-7-5-4-6-8-14)17(21)15-9-11-16(19)12-10-15/h4-12H,13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 285.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-fluorophenyl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 18755066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).