2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one

C14H18FNO — CID 67474909

IUPAC2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccc(C)cc2F)CCCCC1=O
InChIInChI=1S/C14H18FNO/c1-10-6-7-11(12(15)9-10)14(16-2)8-4-3-5-13(14)17/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyVKCVHSRXFNKITD-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.69
Rot. Bonds2

About 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one

2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one (PubChem CID 67474909) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one
PubChem CID67474909
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccc(C)cc2F)CCCCC1=O
InChIInChI=1S/C14H18FNO/c1-10-6-7-11(12(15)9-10)14(16-2)8-4-3-5-13(14)17/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyVKCVHSRXFNKITD-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one (CID 67474909) is 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one is CNC1(c2ccc(C)cc2F)CCCCC1=O.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one?
The InChIKey is VKCVHSRXFNKITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-6-7-11(12(15)9-10)14(16-2)8-4-3-5-13(14)17/h6-7,9,16H,3-5,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one?
2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one has a molecular weight of 235.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 67474909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).