[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine

C13H19FN2O — CID 105390958

IUPAC[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
SMILESCC1CCCC(Oc2nccc(CN)c2F)C1
InChIInChI=1S/C13H19FN2O/c1-9-3-2-4-11(7-9)17-13-12(14)10(8-15)5-6-16-13/h5-6,9,11H,2-4,7-8,15H2,1H3
InChIKeySQUGEPPTIITCGJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.64
Rot. Bonds3

About [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine

[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine (PubChem CID 105390958) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
PubChem CID105390958
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
SMILESCC1CCCC(Oc2nccc(CN)c2F)C1
InChIInChI=1S/C13H19FN2O/c1-9-3-2-4-11(7-9)17-13-12(14)10(8-15)5-6-16-13/h5-6,9,11H,2-4,7-8,15H2,1H3
InChIKeySQUGEPPTIITCGJ-UHFFFAOYSA-N
XLogP2.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777338
4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
CID 105383733
[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 43126965
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105391510
[3-(4-methylcyclohexyl)oxypyridazin-4-yl]methanamine
CID 80507790
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390723
[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
CID 112619867
1-(bromomethyl)-3-fluoro-2-(3-methylcyclohexyl)oxybenzene
CID 112613992
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
CID 105390892

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine (CID 105390958) is [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine is CC1CCCC(Oc2nccc(CN)c2F)C1.
What is the InChIKey of [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
The InChIKey is SQUGEPPTIITCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-3-2-4-11(7-9)17-13-12(14)10(8-15)5-6-16-13/h5-6,9,11H,2-4,7-8,15H2,1H3.
What are the key properties of [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine has a molecular weight of 238.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 105390958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).