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

C14H16N2O — CID 79250809

IUPAC2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
SMILESCc1ccc(C)c(OCc2cc(N)ccn2)c1
InChIInChI=1S/C14H16N2O/c1-10-3-4-11(2)14(7-10)17-9-13-8-12(15)5-6-16-13/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyFVIFJEZWKNARQP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.86
Rot. Bonds3

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

2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine (PubChem CID 79250809) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
PubChem CID79250809
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
SMILESCc1ccc(C)c(OCc2cc(N)ccn2)c1
InChIInChI=1S/C14H16N2O/c1-10-3-4-11(2)14(7-10)17-9-13-8-12(15)5-6-16-13/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyFVIFJEZWKNARQP-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine (CID 79250809) is 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine is Cc1ccc(C)c(OCc2cc(N)ccn2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine?
The InChIKey is FVIFJEZWKNARQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-11(2)14(7-10)17-9-13-8-12(15)5-6-16-13/h3-8H,9H2,1-2H3,(H2,15,16).
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine?
2-[(2,5-dimethylphenoxy)methyl]pyridin-4-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 2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine is sourced from PubChem (CID 79250809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).