6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one

C17H24FNO — CID 79852724

IUPAC6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCN(Cc1ccccc1F)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H24FNO/c1-17(2)10-6-8-14(16(17)20)12-19(3)11-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12H2,1-3H3
InChIKeyFRIBPOXZKZDBSC-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.65
Rot. Bonds4

About 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one

6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79852724) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79852724
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCN(Cc1ccccc1F)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H24FNO/c1-17(2)10-6-8-14(16(17)20)12-19(3)11-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12H2,1-3H3
InChIKeyFRIBPOXZKZDBSC-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 79852369
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853246
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498515
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62270870
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
CID 64762340

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one (CID 79852724) is 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one is CN(Cc1ccccc1F)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is FRIBPOXZKZDBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-17(2)10-6-8-14(16(17)20)12-19(3)11-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12H2,1-3H3.
What are the key properties of 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one?
6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79852724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).