2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol

C14H20FNO — CID 112616052

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
SMILESCN(Cc1cccc(F)c1O)C1CCCCC1
InChIInChI=1S/C14H20FNO/c1-16(12-7-3-2-4-8-12)10-11-6-5-9-13(15)14(11)17/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyOJNPJLIFJSOCPT-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds3

About 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol

2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol (PubChem CID 112616052) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
PubChem CID112616052
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
SMILESCN(Cc1cccc(F)c1O)C1CCCCC1
InChIInChI=1S/C14H20FNO/c1-16(12-7-3-2-4-8-12)10-11-6-5-9-13(15)14(11)17/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyOJNPJLIFJSOCPT-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-tert-butyl-6-[[cycloheptyl(methyl)amino]methyl]phenol;dichlorozirconium
CID 123752097
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-6-fluorophenol
CID 112616372
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite
CID 102064196
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol (CID 112616052) is 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol is CN(Cc1cccc(F)c1O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol?
The InChIKey is OJNPJLIFJSOCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-16(12-7-3-2-4-8-12)10-11-6-5-9-13(15)14(11)17/h5-6,9,12,17H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol?
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol has a molecular weight of 237.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 112616052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).