1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one

C11H14FNO — CID 116561086

IUPAC1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H14FNO/c1-8-5-9(7-10(12)6-8)11(14)3-4-13-2/h5-7,13H,3-4H2,1-2H3
InChIKeyWOYJTSPZGZLELW-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.93
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one

1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one (PubChem CID 116561086) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
PubChem CID116561086
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H14FNO/c1-8-5-9(7-10(12)6-8)11(14)3-4-13-2/h5-7,13H,3-4H2,1-2H3
InChIKeyWOYJTSPZGZLELW-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-4-(methylamino)butan-1-one
CID 116555569
3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 116557876
2-chloro-1-(3-fluoro-5-methylphenyl)ethanone
CID 91636154
3-(methylamino)-1-(3-methylphenyl)propan-1-one
CID 83695895
1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one
CID 79704799
4-bromo-1-(3-fluoro-5-methylphenyl)butan-1-one
CID 146006918
1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one
CID 116565909
1-(3-fluoro-5-methylphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024524
3-(2,2-difluoroethoxy)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 103147239
3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915455
2-(butan-2-ylamino)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116556128
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one (CID 116561086) is 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one is CNCCC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one?
The InChIKey is WOYJTSPZGZLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-5-9(7-10(12)6-8)11(14)3-4-13-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one?
1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one has a molecular weight of 195.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 116561086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).