1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone

C13H18FNO — CID 84688474

IUPAC1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)(C)F)ccc1C
InChIInChI=1S/C13H18FNO/c1-9-5-6-10(13(2,3)14)7-11(9)12(16)8-15-4/h5-7,15H,8H2,1-4H3
InChIKeyJIHMPTBIGBSFTN-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.60
Rot. Bonds4

About 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone

1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone (PubChem CID 84688474) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
PubChem CID84688474
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)(C)F)ccc1C
InChIInChI=1S/C13H18FNO/c1-9-5-6-10(13(2,3)14)7-11(9)12(16)8-15-4/h5-7,15H,8H2,1-4H3
InChIKeyJIHMPTBIGBSFTN-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
5-(2-fluoropropan-2-yl)-2-methylbenzoic acid
CID 84666856
1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84679595
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84696388
2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone
CID 112510754
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
CID 115034955
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
CID 84658586
1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117426481
1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
CID 117320150

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone (CID 84688474) is 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone is CNCC(=O)c1cc(C(C)(C)F)ccc1C.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone?
The InChIKey is JIHMPTBIGBSFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-6-10(13(2,3)14)7-11(9)12(16)8-15-4/h5-7,15H,8H2,1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone?
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone has a molecular weight of 223.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 84688474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).