6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine

C16H20N2O — CID 79239022

IUPAC6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCCC(C)c1ccccc1OCc1cccc(N)n1
InChIInChI=1S/C16H20N2O/c1-3-12(2)14-8-4-5-9-15(14)19-11-13-7-6-10-16(17)18-13/h4-10,12H,3,11H2,1-2H3,(H2,17,18)
InChIKeyVMRPPDOVWIDPGY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.76
Rot. Bonds5

About 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine

6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine (PubChem CID 79239022) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine
PubChem CID79239022
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCCC(C)c1ccccc1OCc1cccc(N)n1
InChIInChI=1S/C16H20N2O/c1-3-12(2)14-8-4-5-9-15(14)19-11-13-7-6-10-16(17)18-13/h4-10,12H,3,11H2,1-2H3,(H2,17,18)
InChIKeyVMRPPDOVWIDPGY-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine 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

[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259305
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 62887389
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
CID 80941065
3-[(2-butan-2-ylphenoxy)methyl]-4-chloroaniline
CID 43350156
2-bromo-5-[(2-butan-2-ylphenoxy)methyl]aniline
CID 115557453
5-[(2-butan-2-ylphenoxy)methyl]-2-methoxyaniline
CID 43111870
5-[(2-butan-2-ylphenoxy)methyl]-2-chloroaniline
CID 43349954
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
2-[(2-butan-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 103066748
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470

Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine (CID 79239022) is 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine is CCC(C)c1ccccc1OCc1cccc(N)n1.
What is the InChIKey of 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine?
The InChIKey is VMRPPDOVWIDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-12(2)14-8-4-5-9-15(14)19-11-13-7-6-10-16(17)18-13/h4-10,12H,3,11H2,1-2H3,(H2,17,18).
What are the key properties of 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine?
6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butan-2-ylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79239022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).