2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol

C15H21F2NO — CID 79831125

IUPAC2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCC(CNCc2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-10-2-4-11(5-3-10)8-18-9-12-6-13(16)15(19)14(17)7-12/h6-7,10-11,18-19H,2-5,8-9H2,1H3
InChIKeyIXCXDOJTFHSSJQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.59
Rot. Bonds4

About 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol

2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol (PubChem CID 79831125) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
PubChem CID79831125
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCC(CNCc2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-10-2-4-11(5-3-10)8-18-9-12-6-13(16)15(19)14(17)7-12/h6-7,10-11,18-19H,2-5,8-9H2,1H3
InChIKeyIXCXDOJTFHSSJQ-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 81436280
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663
1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63451508
1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine
CID 142228898
2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
CID 114104967
methyl 2-fluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 106700027
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 79832437
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol (CID 79831125) is 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol is CC1CCC(CNCc2cc(F)c(O)c(F)c2)CC1.
What is the InChIKey of 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is IXCXDOJTFHSSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-2-4-11(5-3-10)8-18-9-12-6-13(16)15(19)14(17)7-12/h6-7,10-11,18-19H,2-5,8-9H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol?
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 79831125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).