4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine

C15H18N2O — CID 62464982

IUPAC4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(C)c(OCc2ccnc(N)c2)c1C
InChIInChI=1S/C15H18N2O/c1-10-4-5-11(2)15(12(10)3)18-9-13-6-7-17-14(16)8-13/h4-8H,9H2,1-3H3,(H2,16,17)
InChIKeyRXOCGWAMYSQEQF-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.17
Rot. Bonds3

About 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine

4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine (PubChem CID 62464982) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine
PubChem CID62464982
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(C)c(OCc2ccnc(N)c2)c1C
InChIInChI=1S/C15H18N2O/c1-10-4-5-11(2)15(12(10)3)18-9-13-6-7-17-14(16)8-13/h4-8H,9H2,1-3H3,(H2,16,17)
InChIKeyRXOCGWAMYSQEQF-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine (CID 62464982) is 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine is Cc1ccc(C)c(OCc2ccnc(N)c2)c1C.
What is the InChIKey of 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine?
The InChIKey is RXOCGWAMYSQEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-5-11(2)15(12(10)3)18-9-13-6-7-17-14(16)8-13/h4-8H,9H2,1-3H3,(H2,16,17).
What are the key properties of 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine?
4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine has a molecular weight of 242.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62464982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).