1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol

C13H19FN2O — CID 65118138

IUPAC1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ccc(F)cn2)C1
InChIInChI=1S/C13H19FN2O/c1-10-3-2-6-13(17,7-10)9-16-12-5-4-11(14)8-15-12/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyMCFCXHDRMRYDSU-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.57
Rot. Bonds3

About 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65118138) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65118138
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ccc(F)cn2)C1
InChIInChI=1S/C13H19FN2O/c1-10-3-2-6-13(17,7-10)9-16-12-5-4-11(14)8-15-12/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyMCFCXHDRMRYDSU-UHFFFAOYSA-N
XLogP2.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65111028
3-methyl-1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65118284
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 79838660
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
CID 79098492
3-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118143
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406
1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63963822
1-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 104924128
N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine
CID 65028300
1-[[(6-ethoxy-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118858
1-[[(6-aminoquinolin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117031
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80842915

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65118138) is 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2ccc(F)cn2)C1.
What is the InChIKey of 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is MCFCXHDRMRYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-3-2-6-13(17,7-10)9-16-12-5-4-11(14)8-15-12/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,15,16).
What are the key properties of 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65118138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).