2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine

C11H15FN2O2 — CID 118192497

IUPAC2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine
SMILESCOC(OC)c1c(F)cnc(C2CC2)c1N
InChIInChI=1S/C11H15FN2O2/c1-15-11(16-2)8-7(12)5-14-10(9(8)13)6-3-4-6/h5-6,11H,3-4,13H2,1-2H3
InChIKeyMMLDDMADLIBZPA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.97
Rot. Bonds4

About 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine

2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine (PubChem CID 118192497) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine
PubChem CID118192497
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine
SMILESCOC(OC)c1c(F)cnc(C2CC2)c1N
InChIInChI=1S/C11H15FN2O2/c1-15-11(16-2)8-7(12)5-14-10(9(8)13)6-3-4-6/h5-6,11H,3-4,13H2,1-2H3
InChIKeyMMLDDMADLIBZPA-UHFFFAOYSA-N
XLogP1.97
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine?
The IUPAC name of 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine (CID 118192497) is 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine.
What is the SMILES notation for 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine?
The canonical SMILES for 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine is COC(OC)c1c(F)cnc(C2CC2)c1N.
What is the InChIKey of 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine?
The InChIKey is MMLDDMADLIBZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-15-11(16-2)8-7(12)5-14-10(9(8)13)6-3-4-6/h5-6,11H,3-4,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine?
2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine has a molecular weight of 226.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(dimethoxymethyl)-5-fluoropyridin-3-amine is sourced from PubChem (CID 118192497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).