[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine

C16H20N2O — CID 80633747

IUPAC[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1c(C)ccc(C)c1C
InChIInChI=1S/C16H20N2O/c1-10-5-6-11(2)15(13(10)4)19-16-12(3)7-14(8-17)9-18-16/h5-7,9H,8,17H2,1-4H3
InChIKeyANTMFBLMLNNEGQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.57
Rot. Bonds3

About [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine

[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine (PubChem CID 80633747) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine
PubChem CID80633747
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1c(C)ccc(C)c1C
InChIInChI=1S/C16H20N2O/c1-10-5-6-11(2)15(13(10)4)19-16-12(3)7-14(8-17)9-18-16/h5-7,9H,8,17H2,1-4H3
InChIKeyANTMFBLMLNNEGQ-UHFFFAOYSA-N
XLogP3.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine (CID 80633747) is [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Oc1c(C)ccc(C)c1C.
What is the InChIKey of [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is ANTMFBLMLNNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-5-6-11(2)15(13(10)4)19-16-12(3)7-14(8-17)9-18-16/h5-7,9H,8,17H2,1-4H3.
What are the key properties of [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine?
[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 80633747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).