1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one

C15H22FNO2 — CID 142181558

IUPAC1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1cc(N(C)C)c(OC)c(C(C)(C)F)c1
InChIInChI=1S/C15H22FNO2/c1-7-13(18)10-8-11(15(2,3)16)14(19-6)12(9-10)17(4)5/h8-9H,7H2,1-6H3
InChIKeyGQAHBAJACHOFDS-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.56
Rot. Bonds5

About 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one

1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one (PubChem CID 142181558) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one
PubChem CID142181558
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1cc(N(C)C)c(OC)c(C(C)(C)F)c1
InChIInChI=1S/C15H22FNO2/c1-7-13(18)10-8-11(15(2,3)16)14(19-6)12(9-10)17(4)5/h8-9H,7H2,1-6H3
InChIKeyGQAHBAJACHOFDS-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3'-Acetylamino-4'-methoxyacetophenone
CID 825838
(5-Acetyl-2-methoxyphenyl)methyl 3-(dimethylamino)benzoate
CID 2432389
(E)-1-[4-(dimethylamino)phenyl]-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 156783237
Cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone
CID 171904648
2-Bromo-1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]ethanone
CID 22929903
1-[3-[3-[[4-(Dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone
CID 58019957
2-Bromo-1-(4-methoxy-3-morpholin-4-yl-5-trifluoromethylphenyl)ethanone
CID 58085712
N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide
CID 67278837
N-[3-(3-dimethylamino-acryloyl)-5-fluoro-2-methoxy-phenyl]-N-methyl-acetamide
CID 67278840
3-Amino-4-methoxy-5-trifluoromethyl-benzamide
CID 69671295
4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)-N,N-dimethyl-3-[methyl(propyl)amino]benzamide
CID 87315434
Methyl 3-(dibutylamino)-4-phenoxy-5-(trifluoromethyl)benzoate
CID 89514394

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one?
The IUPAC name of 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one (CID 142181558) is 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one is CCC(=O)c1cc(N(C)C)c(OC)c(C(C)(C)F)c1.
What is the InChIKey of 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one?
The InChIKey is GQAHBAJACHOFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-7-13(18)10-8-11(15(2,3)16)14(19-6)12(9-10)17(4)5/h8-9H,7H2,1-6H3.
What are the key properties of 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one?
1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one has a molecular weight of 267.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one is sourced from PubChem (CID 142181558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).