[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine

C17H21FN2O — CID 107170699

IUPAC[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2cc(CN)cc(C(C)(C)C)n2)cc1F
InChIInChI=1S/C17H21FN2O/c1-11-5-6-13(9-14(11)18)21-16-8-12(10-19)7-15(20-16)17(2,3)4/h5-9H,10,19H2,1-4H3
InChIKeyZCAVLLVWHUEQGA-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.08
Rot. Bonds3

About [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine

[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine (PubChem CID 107170699) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine
PubChem CID107170699
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2cc(CN)cc(C(C)(C)C)n2)cc1F
InChIInChI=1S/C17H21FN2O/c1-11-5-6-13(9-14(11)18)21-16-8-12(10-19)7-15(20-16)17(2,3)4/h5-9H,10,19H2,1-4H3
InChIKeyZCAVLLVWHUEQGA-UHFFFAOYSA-N
XLogP4.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine (CID 107170699) is [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine is Cc1ccc(Oc2cc(CN)cc(C(C)(C)C)n2)cc1F.
What is the InChIKey of [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine?
The InChIKey is ZCAVLLVWHUEQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11-5-6-13(9-14(11)18)21-16-8-12(10-19)7-15(20-16)17(2,3)4/h5-9H,10,19H2,1-4H3.
What are the key properties of [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine?
[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine has a molecular weight of 288.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 107170699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).