4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol

C16H24F2N2O — CID 79832433

IUPAC4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
SMILESCN(C)C1(CNCc2cc(F)c(O)c(F)c2)CCCCC1
InChIInChI=1S/C16H24F2N2O/c1-20(2)16(6-4-3-5-7-16)11-19-10-12-8-13(17)15(21)14(18)9-12/h8-9,19,21H,3-7,10-11H2,1-2H3
InChIKeyQOHCDYGPPICDDY-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.02
Rot. Bonds5

About 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol

4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol (PubChem CID 79832433) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
PubChem CID79832433
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
SMILESCN(C)C1(CNCc2cc(F)c(O)c(F)c2)CCCCC1
InChIInChI=1S/C16H24F2N2O/c1-20(2)16(6-4-3-5-7-16)11-19-10-12-8-13(17)15(21)14(18)9-12/h8-9,19,21H,3-7,10-11H2,1-2H3
InChIKeyQOHCDYGPPICDDY-UHFFFAOYSA-N
XLogP3.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol with MolForge

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Related Compounds

N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol (CID 79832433) is 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol is CN(C)C1(CNCc2cc(F)c(O)c(F)c2)CCCCC1.
What is the InChIKey of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol?
The InChIKey is QOHCDYGPPICDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-20(2)16(6-4-3-5-7-16)11-19-10-12-8-13(17)15(21)14(18)9-12/h8-9,19,21H,3-7,10-11H2,1-2H3.
What are the key properties of 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol?
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol has a molecular weight of 298.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 79832433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).