1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine

C17H22N2O — CID 105075212

IUPAC1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-7-5-6-8-15(14)20-16-12-19-10-9-13(16)11-18-4/h5-10,12,18H,11H2,1-4H3
InChIKeyOXKXWGXXANKUEY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.89
Rot. Bonds4

About 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine

1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105075212) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID105075212
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-7-5-6-8-15(14)20-16-12-19-10-9-13(16)11-18-4/h5-10,12,18H,11H2,1-4H3
InChIKeyOXKXWGXXANKUEY-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine 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-butylphenoxy)-3-(chloromethyl)pyridine
CID 81234744
1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314125
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 105075970
1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250426
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075460
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
CID 81228623
1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 105075212) is 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccncc1Oc1ccccc1C(C)(C)C.
What is the InChIKey of 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is OXKXWGXXANKUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,3)14-7-5-6-8-15(14)20-16-12-19-10-9-13(16)11-18-4/h5-10,12,18H,11H2,1-4H3.
What are the key properties of 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105075212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).