2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine

C18H24N2O — CID 79244187

IUPAC2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C18H24N2O/c1-13-10-14(18(2,3)4)6-7-17(13)21-12-16-11-15(19-5)8-9-20-16/h6-11H,12H2,1-5H3,(H,19,20)
InChIKeyTUKGGYDOMIXMLH-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.31
Rot. Bonds4

About 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine

2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine (PubChem CID 79244187) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine
PubChem CID79244187
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C18H24N2O/c1-13-10-14(18(2,3)4)6-7-17(13)21-12-16-11-15(19-5)8-9-20-16/h6-11H,12H2,1-5H3,(H,19,20)
InChIKeyTUKGGYDOMIXMLH-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine (CID 79244187) is 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine is CNc1ccnc(COc2ccc(C(C)(C)C)cc2C)c1.
What is the InChIKey of 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine?
The InChIKey is TUKGGYDOMIXMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-10-14(18(2,3)4)6-7-17(13)21-12-16-11-15(19-5)8-9-20-16/h6-11H,12H2,1-5H3,(H,19,20).
What are the key properties of 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine?
2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine has a molecular weight of 284.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79244187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).