2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

C16H20FN3O — CID 79041425

IUPAC2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCc1cc(F)cc(Nc2ccc(N)c(OCC(C)C)n2)c1
InChIInChI=1S/C16H20FN3O/c1-10(2)9-21-16-14(18)4-5-15(20-16)19-13-7-11(3)6-12(17)8-13/h4-8,10H,9,18H2,1-3H3,(H,19,20)
InChIKeyIBFMCOZWKYPRNH-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.89
Rot. Bonds5

About 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 79041425) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID79041425
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCc1cc(F)cc(Nc2ccc(N)c(OCC(C)C)n2)c1
InChIInChI=1S/C16H20FN3O/c1-10(2)9-21-16-14(18)4-5-15(20-16)19-13-7-11(3)6-12(17)8-13/h4-8,10H,9,18H2,1-3H3,(H,19,20)
InChIKeyIBFMCOZWKYPRNH-UHFFFAOYSA-N
XLogP3.89
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 79041425) is 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is Cc1cc(F)cc(Nc2ccc(N)c(OCC(C)C)n2)c1.
What is the InChIKey of 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is IBFMCOZWKYPRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10(2)9-21-16-14(18)4-5-15(20-16)19-13-7-11(3)6-12(17)8-13/h4-8,10H,9,18H2,1-3H3,(H,19,20).
What are the key properties of 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 289.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 79041425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).