6-(4-tert-butylphenoxy)pyridin-3-amine

C15H18N2O — CID 2735289

IUPAC6-(4-tert-butylphenoxy)pyridin-3-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1
InChIInChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3
InChIKeyWHIWGRCYMQLLAO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.75
Rot. Bonds2

About 6-(4-tert-butylphenoxy)pyridin-3-amine

6-(4-tert-butylphenoxy)pyridin-3-amine (PubChem CID 2735289) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-(4-tert-butylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenoxy)pyridin-3-amine
PubChem CID2735289
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-(4-tert-butylphenoxy)pyridin-3-amine
SMILESCC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1
InChIInChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3
InChIKeyWHIWGRCYMQLLAO-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenoxy)pyridin-3-amine?
The IUPAC name of 6-(4-tert-butylphenoxy)pyridin-3-amine (CID 2735289) is 6-(4-tert-butylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(4-tert-butylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(4-tert-butylphenoxy)pyridin-3-amine is CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1.
What is the InChIKey of 6-(4-tert-butylphenoxy)pyridin-3-amine?
The InChIKey is WHIWGRCYMQLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3.
What are the key properties of 6-(4-tert-butylphenoxy)pyridin-3-amine?
6-(4-tert-butylphenoxy)pyridin-3-amine has a molecular weight of 242.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenoxy)pyridin-3-amine is sourced from PubChem (CID 2735289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).