4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol

C14H20FNO — CID 64792592

IUPAC4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol
SMILESCC1CCCC(C)C1Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H20FNO/c1-9-4-3-5-10(2)14(9)16-11-6-7-13(17)12(15)8-11/h6-10,14,16-17H,3-5H2,1-2H3
InChIKeyPGONGZBMGHBAOZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.77
Rot. Bonds2

About 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol

4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol (PubChem CID 64792592) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol
PubChem CID64792592
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol
SMILESCC1CCCC(C)C1Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H20FNO/c1-9-4-3-5-10(2)14(9)16-11-6-7-13(17)12(15)8-11/h6-10,14,16-17H,3-5H2,1-2H3
InChIKeyPGONGZBMGHBAOZ-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
5-[(2,6-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 63476932
N-(2,6-dimethylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 43096766
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
N-(2,6-dimethylcyclohexyl)-3-iodoaniline
CID 43124617
4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
CID 64794825
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
2-chloro-4-[(2-methylcyclopentyl)amino]phenol
CID 107678036
N-(2,6-dimethylcyclohexyl)-4-propan-2-ylaniline
CID 43110755
N-(2,6-dimethylcyclohexyl)-4-phenylaniline
CID 43716849

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol?
The IUPAC name of 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol (CID 64792592) is 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol.
What is the SMILES notation for 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol?
The canonical SMILES for 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol is CC1CCCC(C)C1Nc1ccc(O)c(F)c1.
What is the InChIKey of 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol?
The InChIKey is PGONGZBMGHBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-4-3-5-10(2)14(9)16-11-6-7-13(17)12(15)8-11/h6-10,14,16-17H,3-5H2,1-2H3.
What are the key properties of 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol?
4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol has a molecular weight of 237.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol is sourced from PubChem (CID 64792592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).