4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one

C15H20FNO2 — CID 116957071

IUPAC4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
SMILESCNC(c1cc(F)ccc1OC)C1CCC(=O)CC1
InChIInChI=1S/C15H20FNO2/c1-17-15(10-3-6-12(18)7-4-10)13-9-11(16)5-8-14(13)19-2/h5,8-10,15,17H,3-4,6-7H2,1-2H3
InChIKeyBXXGPBAVSKJUPC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.85
Rot. Bonds4

About 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one

4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one (PubChem CID 116957071) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
PubChem CID116957071
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
SMILESCNC(c1cc(F)ccc1OC)C1CCC(=O)CC1
InChIInChI=1S/C15H20FNO2/c1-17-15(10-3-6-12(18)7-4-10)13-9-11(16)5-8-14(13)19-2/h5,8-10,15,17H,3-4,6-7H2,1-2H3
InChIKeyBXXGPBAVSKJUPC-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957084
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957100
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107177273
[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330884
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one
CID 130433786
[(5-fluoro-2-methoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233254
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 82770581
3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine
CID 112508407

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one (CID 116957071) is 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one is CNC(c1cc(F)ccc1OC)C1CCC(=O)CC1.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one?
The InChIKey is BXXGPBAVSKJUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17-15(10-3-6-12(18)7-4-10)13-9-11(16)5-8-14(13)19-2/h5,8-10,15,17H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one?
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 116957071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).