4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H16F2N2O — CID 106130548

IUPAC4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncc(F)cc2F)CC1
InChIInChI=1S/C12H16F2N2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h5,7-8,10,17H,1-4,6H2,(H,15,16)
InChIKeyMXWYXBHKFFVFLH-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.32
Rot. Bonds3

About 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106130548) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID106130548
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncc(F)cc2F)CC1
InChIInChI=1S/C12H16F2N2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h5,7-8,10,17H,1-4,6H2,(H,15,16)
InChIKeyMXWYXBHKFFVFLH-UHFFFAOYSA-N
XLogP2.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 112675958
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928
[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112675954
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343
N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine
CID 114147330
N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676581
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672
N-(cyclopropylmethyl)-5-fluoropyridin-2-amine
CID 61313730
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 106130548) is 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is OC1CCC(CNc2ncc(F)cc2F)CC1.
What is the InChIKey of 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MXWYXBHKFFVFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h5,7-8,10,17H,1-4,6H2,(H,15,16).
What are the key properties of 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 242.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).