4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine

C14H16N2O — CID 62465468

IUPAC4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
SMILESCc1cc(C)cc(OCc2ccnc(N)c2)c1
InChIInChI=1S/C14H16N2O/c1-10-5-11(2)7-13(6-10)17-9-12-3-4-16-14(15)8-12/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyIAXYIQDXOWSFFV-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.86
Rot. Bonds3

About 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine

4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine (PubChem CID 62465468) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
PubChem CID62465468
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
SMILESCc1cc(C)cc(OCc2ccnc(N)c2)c1
InChIInChI=1S/C14H16N2O/c1-10-5-11(2)7-13(6-10)17-9-12-3-4-16-14(15)8-12/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyIAXYIQDXOWSFFV-UHFFFAOYSA-N
XLogP2.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3,5-dimethylphenoxy)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

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine (CID 62465468) is 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine is Cc1cc(C)cc(OCc2ccnc(N)c2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine?
The InChIKey is IAXYIQDXOWSFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-5-11(2)7-13(6-10)17-9-12-3-4-16-14(15)8-12/h3-8H,9H2,1-2H3,(H2,15,16).
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine?
4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine has a molecular weight of 228.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62465468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).