N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine

C18H24N2O — CID 81253885

IUPACN-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H24N2O/c1-6-19-10-16-11-20-14(4)9-18(16)21-17-8-12(2)7-13(3)15(17)5/h7-9,11,19H,6,10H2,1-5H3
InChIKeyJNDHCWAODLDZDE-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.22
Rot. Bonds5

About N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 81253885) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID81253885
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H24N2O/c1-6-19-10-16-11-20-14(4)9-18(16)21-17-8-12(2)7-13(3)15(17)5/h7-9,11,19H,6,10H2,1-5H3
InChIKeyJNDHCWAODLDZDE-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 81253885) is N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1Oc1cc(C)cc(C)c1C.
What is the InChIKey of N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is JNDHCWAODLDZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-6-19-10-16-11-20-14(4)9-18(16)21-17-8-12(2)7-13(3)15(17)5/h7-9,11,19H,6,10H2,1-5H3.
What are the key properties of N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81253885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).