1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one

C12H16FNO — CID 114347298

IUPAC1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)CN(C)C
InChIInChI=1S/C12H16FNO/c1-9-6-11(13)5-4-10(9)7-12(15)8-14(2)3/h4-6H,7-8H2,1-3H3
InChIKeyHPHCHBFZDIRNNJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.81
Rot. Bonds4

About 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one

1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one (PubChem CID 114347298) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
PubChem CID114347298
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)CN(C)C
InChIInChI=1S/C12H16FNO/c1-9-6-11(13)5-4-10(9)7-12(15)8-14(2)3/h4-6H,7-8H2,1-3H3
InChIKeyHPHCHBFZDIRNNJ-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347338
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347174
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
CID 65056319
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
CID 114347135
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350364

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
The IUPAC name of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one (CID 114347298) is 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one is Cc1cc(F)ccc1CC(=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
The InChIKey is HPHCHBFZDIRNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-6-11(13)5-4-10(9)7-12(15)8-14(2)3/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one has a molecular weight of 209.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 114347298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).