2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol

C14H19F2NO — CID 79831119

IUPAC2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCC(NCc2cc(F)c(O)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-9-3-2-4-11(5-9)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3
InChIKeyGTEFRTOCIRYCGE-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.34
Rot. Bonds3

About 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol

2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol (PubChem CID 79831119) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol
PubChem CID79831119
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCC(NCc2cc(F)c(O)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-9-3-2-4-11(5-9)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3
InChIKeyGTEFRTOCIRYCGE-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103735291
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104953424
2,6-dibromo-4-[[(3-methylcyclopentyl)amino]methyl]phenol
CID 107741117
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
4-[[(1,1-dioxothian-4-yl)amino]methyl]-2,6-difluorophenol
CID 79891410
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol (CID 79831119) is 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol is CC1CCCC(NCc2cc(F)c(O)c(F)c2)C1.
What is the InChIKey of 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol?
The InChIKey is GTEFRTOCIRYCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-3-2-4-11(5-9)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol?
2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol has a molecular weight of 255.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 79831119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).