2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine

C16H17N3O — CID 59857517

IUPAC2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine
SMILES[C-]#[N+]c1ccc(N)c(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C16H17N3O/c1-16(2,3)11-7-5-6-8-13(11)20-15-12(17)9-10-14(18-4)19-15/h5-10H,17H2,1-3H3
InChIKeyJLGIHYNIFVJTNB-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.30
Rot. Bonds2

About 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine

2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine (PubChem CID 59857517) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine
PubChem CID59857517
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine
SMILES[C-]#[N+]c1ccc(N)c(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C16H17N3O/c1-16(2,3)11-7-5-6-8-13(11)20-15-12(17)9-10-14(18-4)19-15/h5-10H,17H2,1-3H3
InChIKeyJLGIHYNIFVJTNB-UHFFFAOYSA-N
XLogP4.30
TPSA52.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-(2-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43261983
6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine
CID 86601896
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736
5-(2-tert-butylphenoxy)pyrazin-2-amine
CID 80664508
5-amino-6-(2-tert-butylphenoxy)pyridine-3-carbonitrile
CID 68530043
5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 114408349
[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917311
3-amino-4-(2-tert-butylphenoxy)benzoic acid
CID 63423267
2-tert-butylaniline
CID 159041627
[6-(2-tert-butylphenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80909607
3-(2-tert-butylphenoxy)-5-fluoroaniline
CID 80753317
5-tert-butyl-2-(2-tert-butylphenoxy)pyridine
CID 59734455

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine?
The IUPAC name of 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine (CID 59857517) is 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine is [C-]#[N+]c1ccc(N)c(Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine?
The InChIKey is JLGIHYNIFVJTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2,3)11-7-5-6-8-13(11)20-15-12(17)9-10-14(18-4)19-15/h5-10H,17H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine?
2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine has a molecular weight of 267.33 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-6-isocyanopyridin-3-amine is sourced from PubChem (CID 59857517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).