1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone

C16H24FNO — CID 63532802

IUPAC1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N(CC(C)C)CC(C)C)c(F)c1
InChIInChI=1S/C16H24FNO/c1-11(2)9-18(10-12(3)4)16-7-6-14(13(5)19)8-15(16)17/h6-8,11-12H,9-10H2,1-5H3
InChIKeyMUBDSEXCTBCEKJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.15
Rot. Bonds6

About 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone

1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone (PubChem CID 63532802) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
PubChem CID63532802
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N(CC(C)C)CC(C)C)c(F)c1
InChIInChI=1S/C16H24FNO/c1-11(2)9-18(10-12(3)4)16-7-6-14(13(5)19)8-15(16)17/h6-8,11-12H,9-10H2,1-5H3
InChIKeyMUBDSEXCTBCEKJ-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]prop-2-enoic acid
CID 76998002
1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanone
CID 43570181
1-[3-bromo-4-[ethyl(2-methylpropyl)amino]phenyl]ethanone
CID 55132067
1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 79387843
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanone
CID 61446469
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
3-(4-acetyl-2-fluoro-N-methylanilino)butanenitrile
CID 63223019
1-[4-[ethyl(2-methylpropyl)amino]-3-nitrophenyl]ethanone
CID 43247588
1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone
CID 63533402
methyl 3-[4-acetyl-2-fluoro-N-(2-methoxyethyl)anilino]propanoate
CID 115538096
3-[2,5-difluoro-N-(2-methylpropyl)anilino]-2-methylpropanoic acid
CID 82319387
1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
CID 63532043

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone (CID 63532802) is 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone is CC(=O)c1ccc(N(CC(C)C)CC(C)C)c(F)c1.
What is the InChIKey of 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone?
The InChIKey is MUBDSEXCTBCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)9-18(10-12(3)4)16-7-6-14(13(5)19)8-15(16)17/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone?
1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone has a molecular weight of 265.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone is sourced from PubChem (CID 63532802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).