1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone

C14H20FNO — CID 43570181

IUPAC1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)C(C)C)c(F)c1
InChIInChI=1S/C14H20FNO/c1-9(2)10(3)16(5)14-7-6-12(11(4)17)8-13(14)15/h6-10H,1-5H3
InChIKeyMHFSEDPTUPWGOJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.51
Rot. Bonds4

About 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone

1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone (PubChem CID 43570181) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone
PubChem CID43570181
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)C(C)C)c(F)c1
InChIInChI=1S/C14H20FNO/c1-9(2)10(3)16(5)14-7-6-12(11(4)17)8-13(14)15/h6-10H,1-5H3
InChIKeyMHFSEDPTUPWGOJ-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-acetyl-2-fluoro-N-methylanilino)butanenitrile
CID 63223019
1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 63532802
(1S)-1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 78939739
1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
CID 63532043
1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 61414179
1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 79387843
ethyl 3-amino-4-[methyl(3-methylbutan-2-yl)amino]benzoate
CID 61306432
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanone
CID 61446469
5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid
CID 62514826
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone (CID 43570181) is 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)C(C)C(C)C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone?
The InChIKey is MHFSEDPTUPWGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)10(3)16(5)14-7-6-12(11(4)17)8-13(14)15/h6-10H,1-5H3.
What are the key properties of 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone?
1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone has a molecular weight of 237.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 43570181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).