2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine

C14H17N3O — CID 67697104

IUPAC2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
SMILESCc1cc(C)c(Oc2nccc(N)c2N)c(C)c1
InChIInChI=1S/C14H17N3O/c1-8-6-9(2)13(10(3)7-8)18-14-12(16)11(15)4-5-17-14/h4-7H,16H2,1-3H3,(H2,15,17)
InChIKeySASFZCKPMWOKLW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.96
Rot. Bonds2

About 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine

2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine (PubChem CID 67697104) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
PubChem CID67697104
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
SMILESCc1cc(C)c(Oc2nccc(N)c2N)c(C)c1
InChIInChI=1S/C14H17N3O/c1-8-6-9(2)13(10(3)7-8)18-14-12(16)11(15)4-5-17-14/h4-7H,16H2,1-3H3,(H2,15,17)
InChIKeySASFZCKPMWOKLW-UHFFFAOYSA-N
XLogP2.96
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
The IUPAC name of 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine (CID 67697104) is 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine.
What is the SMILES notation for 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
The canonical SMILES for 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine is Cc1cc(C)c(Oc2nccc(N)c2N)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
The InChIKey is SASFZCKPMWOKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-6-9(2)13(10(3)7-8)18-14-12(16)11(15)4-5-17-14/h4-7H,16H2,1-3H3,(H2,15,17).
What are the key properties of 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine?
2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine is sourced from PubChem (CID 67697104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).