1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone

C14H20FNO3 — CID 117426481

IUPAC1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(C(C)(C)F)cc1OC
InChIInChI=1S/C14H20FNO3/c1-14(2,15)10-7-12(18-4)9(6-13(10)19-5)11(17)8-16-3/h6-7,16H,8H2,1-5H3
InChIKeyRBGQTDRKPFLKKQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.31
Rot. Bonds6

About 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone

1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone (PubChem CID 117426481) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone
PubChem CID117426481
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(C(C)(C)F)cc1OC
InChIInChI=1S/C14H20FNO3/c1-14(2,15)10-7-12(18-4)9(6-13(10)19-5)11(17)8-16-3/h6-7,16H,8H2,1-5H3
InChIKeyRBGQTDRKPFLKKQ-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117435412
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
CID 84703270
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117381240
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone (CID 117426481) is 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)c(C(C)(C)F)cc1OC.
What is the InChIKey of 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone?
The InChIKey is RBGQTDRKPFLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,15)10-7-12(18-4)9(6-13(10)19-5)11(17)8-16-3/h6-7,16H,8H2,1-5H3.
What are the key properties of 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone?
1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone has a molecular weight of 269.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117426481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).