2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine

C14H16FN3 — CID 80771478

IUPAC2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESCCNc1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C14H16FN3/c1-2-16-13-7-4-8-14(18-13)17-10-11-5-3-6-12(15)9-11/h3-9H,2,10H2,1H3,(H2,16,17,18)
InChIKeyREIPPTXUQSITNV-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.26
Rot. Bonds5

About 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine

2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine (PubChem CID 80771478) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
PubChem CID80771478
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESCCNc1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C14H16FN3/c1-2-16-13-7-4-8-14(18-13)17-10-11-5-3-6-12(15)9-11/h3-9H,2,10H2,1H3,(H2,16,17,18)
InChIKeyREIPPTXUQSITNV-UHFFFAOYSA-N
XLogP3.26
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
6-N-ethyl-2-N-[(3-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80771439
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133482259
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
CID 90412213
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 80890333
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine (CID 80771478) is 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine is CCNc1cccc(NCc2cccc(F)c2)n1.
What is the InChIKey of 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
The InChIKey is REIPPTXUQSITNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-16-13-7-4-8-14(18-13)17-10-11-5-3-6-12(15)9-11/h3-9H,2,10H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine has a molecular weight of 245.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80771478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).