[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine

C17H22N2O — CID 115487166

IUPAC[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine
SMILESCc1ccc(C(C)(C)C)c(Oc2ccc(CN)nc2)c1
InChIInChI=1S/C17H22N2O/c1-12-5-8-15(17(2,3)4)16(9-12)20-14-7-6-13(10-18)19-11-14/h5-9,11H,10,18H2,1-4H3
InChIKeyPFJJPLNINOLCSJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.94
Rot. Bonds3

About [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine

[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine (PubChem CID 115487166) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine
PubChem CID115487166
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine
SMILESCc1ccc(C(C)(C)C)c(Oc2ccc(CN)nc2)c1
InChIInChI=1S/C17H22N2O/c1-12-5-8-15(17(2,3)4)16(9-12)20-14-7-6-13(10-18)19-11-14/h5-9,11H,10,18H2,1-4H3
InChIKeyPFJJPLNINOLCSJ-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272
[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373044
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
3-(2-tert-butyl-5-methylphenoxy)aniline
CID 80752414
5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
CID 62193136
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
4-(2-tert-butyl-5-methylphenoxy)-2-methylbenzonitrile
CID 81273121
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
[6-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanol
CID 62253773

Frequently Asked Questions

What is the IUPAC name of [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine (CID 115487166) is [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine is Cc1ccc(C(C)(C)C)c(Oc2ccc(CN)nc2)c1.
What is the InChIKey of [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine?
The InChIKey is PFJJPLNINOLCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-5-8-15(17(2,3)4)16(9-12)20-14-7-6-13(10-18)19-11-14/h5-9,11H,10,18H2,1-4H3.
What are the key properties of [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine?
[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 115487166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).