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

C15H21F2NO — CID 79831663

IUPAC2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCCCC1CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10-4-2-3-5-12(10)9-18-8-11-6-13(16)15(19)14(17)7-11/h6-7,10,12,18-19H,2-5,8-9H2,1H3
InChIKeyIWEHJAGAAGYLQP-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.59
Rot. Bonds4

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

2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol (PubChem CID 79831663) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
PubChem CID79831663
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCCCC1CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10-4-2-3-5-12(10)9-18-8-11-6-13(16)15(19)14(17)7-11/h6-7,10,12,18-19H,2-5,8-9H2,1H3
InChIKeyIWEHJAGAAGYLQP-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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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol (CID 79831663) is 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol is CC1CCCCC1CNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is IWEHJAGAAGYLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-4-2-3-5-12(10)9-18-8-11-6-13(16)15(19)14(17)7-11/h6-7,10,12,18-19H,2-5,8-9H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol?
2,6-difluoro-4-[[(2-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-[[(2-methylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 79831663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).