2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol

C15H21F2NO — CID 103753065

IUPAC2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1(CNCc2cc(F)c(O)c(F)c2)CCCCC1
InChIInChI=1S/C15H21F2NO/c1-15(5-3-2-4-6-15)10-18-9-11-7-12(16)14(19)13(17)8-11/h7-8,18-19H,2-6,9-10H2,1H3
InChIKeyHPJIFWQKJKKVAR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.73
Rot. Bonds4

About 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol

2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol (PubChem CID 103753065) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
PubChem CID103753065
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1(CNCc2cc(F)c(O)c(F)c2)CCCCC1
InChIInChI=1S/C15H21F2NO/c1-15(5-3-2-4-6-15)10-18-9-11-7-12(16)14(19)13(17)8-11/h7-8,18-19H,2-6,9-10H2,1H3
InChIKeyHPJIFWQKJKKVAR-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 63822199
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol (CID 103753065) is 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol is CC1(CNCc2cc(F)c(O)c(F)c2)CCCCC1.
What is the InChIKey of 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is HPJIFWQKJKKVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-15(5-3-2-4-6-15)10-18-9-11-7-12(16)14(19)13(17)8-11/h7-8,18-19H,2-6,9-10H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.73, 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-[[(1-methylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 103753065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).