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

C15H21F2NO — CID 82986680

IUPAC2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCCC1N(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10-5-3-4-6-14(10)18(2)9-11-7-12(16)15(19)13(17)8-11/h7-8,10,14,19H,3-6,9H2,1-2H3
InChIKeyZTZAYMDVAABZIF-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.68
Rot. Bonds3

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

2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol (PubChem CID 82986680) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
PubChem CID82986680
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCCC1N(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10-5-3-4-6-14(10)18(2)9-11-7-12(16)15(19)13(17)8-11/h7-8,10,14,19H,3-6,9H2,1-2H3
InChIKeyZTZAYMDVAABZIF-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol (CID 82986680) is 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol is CC1CCCCC1N(C)Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
The InChIKey is ZTZAYMDVAABZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-5-3-4-6-14(10)18(2)9-11-7-12(16)15(19)13(17)8-11/h7-8,10,14,19H,3-6,9H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol?
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 82986680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).