[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine

C18H24N2O — CID 107875396

IUPAC[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C18H24N2O/c1-12-8-14(10-19)9-13(2)17(12)21-16-7-6-15(11-20-16)18(3,4)5/h6-9,11H,10,19H2,1-5H3
InChIKeyLIKPMZHQHZSXJF-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.25
Rot. Bonds3

About [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine

[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine (PubChem CID 107875396) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine
PubChem CID107875396
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C18H24N2O/c1-12-8-14(10-19)9-13(2)17(12)21-16-7-6-15(11-20-16)18(3,4)5/h6-9,11H,10,19H2,1-5H3
InChIKeyLIKPMZHQHZSXJF-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine (CID 107875396) is [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1Oc1ccc(C(C)(C)C)cn1.
What is the InChIKey of [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine?
The InChIKey is LIKPMZHQHZSXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-8-14(10-19)9-13(2)17(12)21-16-7-6-15(11-20-16)18(3,4)5/h6-9,11H,10,19H2,1-5H3.
What are the key properties of [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine?
[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 107875396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).