1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone

C16H22FNO — CID 55005236

IUPAC1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
SMILESCC1CCCCC1N(C)CC(=O)c1ccccc1F
InChIInChI=1S/C16H22FNO/c1-12-7-3-6-10-15(12)18(2)11-16(19)13-8-4-5-9-14(13)17/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3
InChIKeyCRZZYXBSWAJPGN-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.52
Rot. Bonds4

About 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone

1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone (PubChem CID 55005236) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
PubChem CID55005236
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
SMILESCC1CCCCC1N(C)CC(=O)c1ccccc1F
InChIInChI=1S/C16H22FNO/c1-12-7-3-6-10-15(12)18(2)11-16(19)13-8-4-5-9-14(13)17/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3
InChIKeyCRZZYXBSWAJPGN-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone (CID 55005236) is 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone is CC1CCCCC1N(C)CC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The InChIKey is CRZZYXBSWAJPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12-7-3-6-10-15(12)18(2)11-16(19)13-8-4-5-9-14(13)17/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone has a molecular weight of 263.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 55005236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).