2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine

C14H16FN3 — CID 79176696

IUPAC2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
SMILESCCN(c1cc(C)c(N)cn1)c1ccccc1F
InChIInChI=1S/C14H16FN3/c1-3-18(13-7-5-4-6-11(13)15)14-8-10(2)12(16)9-17-14/h4-9H,3,16H2,1-2H3
InChIKeyRPIRAIOTPDCMDG-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.27
Rot. Bonds3

About 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine

2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79176696) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
PubChem CID79176696
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
SMILESCCN(c1cc(C)c(N)cn1)c1ccccc1F
InChIInChI=1S/C14H16FN3/c1-3-18(13-7-5-4-6-11(13)15)14-8-10(2)12(16)9-17-14/h4-9H,3,16H2,1-2H3
InChIKeyRPIRAIOTPDCMDG-UHFFFAOYSA-N
XLogP3.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine (CID 79176696) is 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine is CCN(c1cc(C)c(N)cn1)c1ccccc1F.
What is the InChIKey of 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is RPIRAIOTPDCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-18(13-7-5-4-6-11(13)15)14-8-10(2)12(16)9-17-14/h4-9H,3,16H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine?
2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 245.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79176696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).