3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one

C14H20FNO — CID 112679711

IUPAC3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCN(CC)CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-4-16(5-2)10-11(3)14(17)12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNCTHSYCECBDXNZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.99
Rot. Bonds6

About 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one

3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 112679711) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID112679711
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCN(CC)CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-4-16(5-2)10-11(3)14(17)12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNCTHSYCECBDXNZ-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dibutylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996505
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996544
1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 115996564
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023
3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996551
1-(2-fluorophenyl)-2-hydroxybutan-1-one
CID 103453135
2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one
CID 174768245
3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
CID 82324785
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 112679711) is 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one is CCN(CC)CC(C)C(=O)c1ccccc1F.
What is the InChIKey of 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is NCTHSYCECBDXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-16(5-2)10-11(3)14(17)12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 237.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 112679711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).