5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine

C15H18FN3 — CID 80634293

IUPAC5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine
SMILESCCN(c1ccc(F)cc1)c1ccc(CCN)cn1
InChIInChI=1S/C15H18FN3/c1-2-19(14-6-4-13(16)5-7-14)15-8-3-12(9-10-17)11-18-15/h3-8,11H,2,9-10,17H2,1H3
InChIKeyCQFLEXRMZMGQDL-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.88
Rot. Bonds5

About 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine

5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine (PubChem CID 80634293) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine
PubChem CID80634293
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine
SMILESCCN(c1ccc(F)cc1)c1ccc(CCN)cn1
InChIInChI=1S/C15H18FN3/c1-2-19(14-6-4-13(16)5-7-14)15-8-3-12(9-10-17)11-18-15/h3-8,11H,2,9-10,17H2,1H3
InChIKeyCQFLEXRMZMGQDL-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine (CID 80634293) is 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine is CCN(c1ccc(F)cc1)c1ccc(CCN)cn1.
What is the InChIKey of 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine?
The InChIKey is CQFLEXRMZMGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-19(14-6-4-13(16)5-7-14)15-8-3-12(9-10-17)11-18-15/h3-8,11H,2,9-10,17H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine?
5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 259.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 80634293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).