2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol

C13H18FNO — CID 117320128

IUPAC2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C2(N)CCCCC2)c1
InChIInChI=1S/C13H18FNO/c1-9-7-10(12(16)11(14)8-9)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3
InChIKeyBTTODIIMLKFYGF-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.96
Rot. Bonds1

About 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol

2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol (PubChem CID 117320128) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
PubChem CID117320128
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C2(N)CCCCC2)c1
InChIInChI=1S/C13H18FNO/c1-9-7-10(12(16)11(14)8-9)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3
InChIKeyBTTODIIMLKFYGF-UHFFFAOYSA-N
XLogP2.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
CID 117408744
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol?
The IUPAC name of 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol (CID 117320128) is 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol?
The canonical SMILES for 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol is Cc1cc(F)c(O)c(C2(N)CCCCC2)c1.
What is the InChIKey of 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol?
The InChIKey is BTTODIIMLKFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-7-10(12(16)11(14)8-9)13(15)5-3-2-4-6-13/h7-8,16H,2-6,15H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol?
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol has a molecular weight of 223.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol is sourced from PubChem (CID 117320128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).