4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol

C13H18FNO2 — CID 106594816

IUPAC4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(F)c(NC2CCC(O)CC2)c1
InChIInChI=1S/C13H18FNO2/c1-17-11-6-7-12(14)13(8-11)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5H2,1H3
InChIKeyNCIKIWPAGDUYLO-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.55
Rot. Bonds3

About 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol

4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol (PubChem CID 106594816) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
PubChem CID106594816
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(F)c(NC2CCC(O)CC2)c1
InChIInChI=1S/C13H18FNO2/c1-17-11-6-7-12(14)13(8-11)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5H2,1H3
InChIKeyNCIKIWPAGDUYLO-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
CID 18509700
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
CID 106593664
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 98264241
1-(2-fluoro-5-methoxyphenyl)piperidin-4-ol
CID 70198128
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
methyl 2-fluoro-5-[(4-hydroxycyclohexyl)amino]benzoate
CID 106593918
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
CID 106071796
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol (CID 106594816) is 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol is COc1ccc(F)c(NC2CCC(O)CC2)c1.
What is the InChIKey of 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol?
The InChIKey is NCIKIWPAGDUYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-11-6-7-12(14)13(8-11)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5H2,1H3.
What are the key properties of 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol?
4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 106594816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).