[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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Related Compounds

3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426
3-(Piperidin-4-yl)-2-(o-tolyloxy)pyridine
CID 46230706
3-(3-Methoxynaphthalen-2-yl)pyridine
CID 11543201
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319
6-(2,3-Dimethylphenoxy)pyridin-3-amine
CID 2800167
[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10020030
[3-(5-Methoxy-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 11782656
3-(Methoxymethyl)-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034491
[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 44358574
N-[2-(7-Pyridin-3-yl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 53238185
2-(2-Fluoro-6-methylphenoxy)-3-(piperidin-4-yl)pyridine
CID 44134036

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).