2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine

C14H16FN3 — CID 55080459

IUPAC2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)c1ccccc1F
InChIInChI=1S/C14H16FN3/c1-9-7-11(16)8-17-14(9)18-10(2)12-5-3-4-6-13(12)15/h3-8,10H,16H2,1-2H3,(H,17,18)
InChIKeyZOWNATRROMGKIE-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.28
Rot. Bonds3

About 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine

2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine (PubChem CID 55080459) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
PubChem CID55080459
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)c1ccccc1F
InChIInChI=1S/C14H16FN3/c1-9-7-11(16)8-17-14(9)18-10(2)12-5-3-4-6-13(12)15/h3-8,10H,16H2,1-2H3,(H,17,18)
InChIKeyZOWNATRROMGKIE-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine (CID 55080459) is 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1NC(C)c1ccccc1F.
What is the InChIKey of 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine?
The InChIKey is ZOWNATRROMGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-7-11(16)8-17-14(9)18-10(2)12-5-3-4-6-13(12)15/h3-8,10H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine?
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine has a molecular weight of 245.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 55080459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).