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

C15H18FN3 — CID 62284078

IUPACN-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine
SMILESCCN(c1ccnc(CNC)c1)c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-3-19(15-7-5-4-6-14(15)16)13-8-9-18-12(10-13)11-17-2/h4-10,17H,3,11H2,1-2H3
InChIKeyVGUJNEJSZGOJMS-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.10
Rot. Bonds5

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

N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine (PubChem CID 62284078) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine
PubChem CID62284078
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine
SMILESCCN(c1ccnc(CNC)c1)c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-3-19(15-7-5-4-6-14(15)16)13-8-9-18-12(10-13)11-17-2/h4-10,17H,3,11H2,1-2H3
InChIKeyVGUJNEJSZGOJMS-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine (CID 62284078) is N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine is CCN(c1ccnc(CNC)c1)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine?
The InChIKey is VGUJNEJSZGOJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-19(15-7-5-4-6-14(15)16)13-8-9-18-12(10-13)11-17-2/h4-10,17H,3,11H2,1-2H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine?
N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 62284078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).