N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine

C16H20FN3 — CID 81246360

IUPACN-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCCN(c1ccc(F)cc1)c1cc(C)ncc1CNC
InChIInChI=1S/C16H20FN3/c1-4-20(15-7-5-14(17)6-8-15)16-9-12(2)19-11-13(16)10-18-3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyWRTNAFHBTXWKEN-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.41
Rot. Bonds5

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

N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine (PubChem CID 81246360) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine
PubChem CID81246360
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCCN(c1ccc(F)cc1)c1cc(C)ncc1CNC
InChIInChI=1S/C16H20FN3/c1-4-20(15-7-5-14(17)6-8-15)16-9-12(2)19-11-13(16)10-18-3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyWRTNAFHBTXWKEN-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine (CID 81246360) is N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine is CCN(c1ccc(F)cc1)c1cc(C)ncc1CNC.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine?
The InChIKey is WRTNAFHBTXWKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-20(15-7-5-14(17)6-8-15)16-9-12(2)19-11-13(16)10-18-3/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine?
N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81246360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).