2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine

C12H19FN2O — CID 163642664

IUPAC2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine
SMILESCOCCNc1cc(F)nc(C(C)(C)C)c1
InChIInChI=1S/C12H19FN2O/c1-12(2,3)10-7-9(8-11(13)15-10)14-5-6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyIFOZTCATGKLXJR-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.58
Rot. Bonds4

About 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine

2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine (PubChem CID 163642664) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine
PubChem CID163642664
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine
SMILESCOCCNc1cc(F)nc(C(C)(C)C)c1
InChIInChI=1S/C12H19FN2O/c1-12(2,3)10-7-9(8-11(13)15-10)14-5-6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyIFOZTCATGKLXJR-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine?
The IUPAC name of 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine (CID 163642664) is 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine?
The canonical SMILES for 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine is COCCNc1cc(F)nc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine?
The InChIKey is IFOZTCATGKLXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(2,3)10-7-9(8-11(13)15-10)14-5-6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine?
2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine has a molecular weight of 226.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-fluoro-N-(2-methoxyethyl)pyridin-4-amine is sourced from PubChem (CID 163642664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).