5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol

C13H18FNO — CID 57470221

IUPAC5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol
SMILESCC1(c2cc(F)c(N)cc2O)CCCCC1
InChIInChI=1S/C13H18FNO/c1-13(5-3-2-4-6-13)9-7-10(14)11(15)8-12(9)16/h7-8,16H,2-6,15H2,1H3
InChIKeyWNEGVTLAQRMHSQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.34
Rot. Bonds1

About 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol

5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol (PubChem CID 57470221) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol.

Molecular Properties

Compound Name5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol
PubChem CID57470221
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol
SMILESCC1(c2cc(F)c(N)cc2O)CCCCC1
InChIInChI=1S/C13H18FNO/c1-13(5-3-2-4-6-13)9-7-10(14)11(15)8-12(9)16/h7-8,16H,2-6,15H2,1H3
InChIKeyWNEGVTLAQRMHSQ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol?
The IUPAC name of 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol (CID 57470221) is 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol.
What is the SMILES notation for 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol?
The canonical SMILES for 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol is CC1(c2cc(F)c(N)cc2O)CCCCC1.
What is the InChIKey of 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol?
The InChIKey is WNEGVTLAQRMHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(5-3-2-4-6-13)9-7-10(14)11(15)8-12(9)16/h7-8,16H,2-6,15H2,1H3.
What are the key properties of 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol?
5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol has a molecular weight of 223.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol is sourced from PubChem (CID 57470221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).