[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine

C14H16N2O — CID 80636065

IUPAC[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cccc(Oc2ncc(CN)cc2C)c1
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-13(6-10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8,15H2,1-2H3
InChIKeyLWTSPTLFHURXFJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.95
Rot. Bonds3

About [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine

[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine (PubChem CID 80636065) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
PubChem CID80636065
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cccc(Oc2ncc(CN)cc2C)c1
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-13(6-10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8,15H2,1-2H3
InChIKeyLWTSPTLFHURXFJ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine (CID 80636065) is [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine is Cc1cccc(Oc2ncc(CN)cc2C)c1.
What is the InChIKey of [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is LWTSPTLFHURXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-3-5-13(6-10)17-14-11(2)7-12(8-15)9-16-14/h3-7,9H,8,15H2,1-2H3.
What are the key properties of [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine?
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 228.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 80636065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).