6-(3-tert-butylphenoxy)pyridine-2,3-diamine

C15H19N3O — CID 79827061

IUPAC6-(3-tert-butylphenoxy)pyridine-2,3-diamine
SMILESCC(C)(C)c1cccc(Oc2ccc(N)c(N)n2)c1
InChIInChI=1S/C15H19N3O/c1-15(2,3)10-5-4-6-11(9-10)19-13-8-7-12(16)14(17)18-13/h4-9H,16H2,1-3H3,(H2,17,18)
InChIKeyYAYNWDCDVFGBHW-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.34
Rot. Bonds2

About 6-(3-tert-butylphenoxy)pyridine-2,3-diamine

6-(3-tert-butylphenoxy)pyridine-2,3-diamine (PubChem CID 79827061) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(3-tert-butylphenoxy)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(3-tert-butylphenoxy)pyridine-2,3-diamine
PubChem CID79827061
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(3-tert-butylphenoxy)pyridine-2,3-diamine
SMILESCC(C)(C)c1cccc(Oc2ccc(N)c(N)n2)c1
InChIInChI=1S/C15H19N3O/c1-15(2,3)10-5-4-6-11(9-10)19-13-8-7-12(16)14(17)18-13/h4-9H,16H2,1-3H3,(H2,17,18)
InChIKeyYAYNWDCDVFGBHW-UHFFFAOYSA-N
XLogP3.34
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43262593
6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine
CID 80874583
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396
6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958
6-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262162
6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262127
5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
6-(4-iodophenoxy)pyridine-2,3-diamine
CID 79826483
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butylphenoxy)pyridine-2,3-diamine?
The IUPAC name of 6-(3-tert-butylphenoxy)pyridine-2,3-diamine (CID 79827061) is 6-(3-tert-butylphenoxy)pyridine-2,3-diamine.
What is the SMILES notation for 6-(3-tert-butylphenoxy)pyridine-2,3-diamine?
The canonical SMILES for 6-(3-tert-butylphenoxy)pyridine-2,3-diamine is CC(C)(C)c1cccc(Oc2ccc(N)c(N)n2)c1.
What is the InChIKey of 6-(3-tert-butylphenoxy)pyridine-2,3-diamine?
The InChIKey is YAYNWDCDVFGBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)10-5-4-6-11(9-10)19-13-8-7-12(16)14(17)18-13/h4-9H,16H2,1-3H3,(H2,17,18).
What are the key properties of 6-(3-tert-butylphenoxy)pyridine-2,3-diamine?
6-(3-tert-butylphenoxy)pyridine-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butylphenoxy)pyridine-2,3-diamine is sourced from PubChem (CID 79827061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).