5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H17FN2O — CID 104952726

IUPAC5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ccc(F)cn2)CCOCC1
InChIInChI=1S/C12H17FN2O/c1-12(4-6-16-7-5-12)9-15-11-3-2-10(13)8-14-11/h2-3,8H,4-7,9H2,1H3,(H,14,15)
InChIKeyLQTUPOOVZXXIDA-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.45
Rot. Bonds3

About 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 104952726) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID104952726
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ccc(F)cn2)CCOCC1
InChIInChI=1S/C12H17FN2O/c1-12(4-6-16-7-5-12)9-15-11-3-2-10(13)8-14-11/h2-3,8H,4-7,9H2,1H3,(H,14,15)
InChIKeyLQTUPOOVZXXIDA-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 104952726) is 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2ccc(F)cn2)CCOCC1.
What is the InChIKey of 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is LQTUPOOVZXXIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(4-6-16-7-5-12)9-15-11-3-2-10(13)8-14-11/h2-3,8H,4-7,9H2,1H3,(H,14,15).
What are the key properties of 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104952726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).