N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine

C20H20N2O2 — CID 25022704

IUPACN-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine
SMILESCNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3
InChIKeyAIBJZSMLYKTKIK-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.69
Rot. Bonds6

About N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine

N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine (PubChem CID 25022704) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine
PubChem CID25022704
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine
SMILESCNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3
InChIKeyAIBJZSMLYKTKIK-UHFFFAOYSA-N
XLogP4.69
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine (CID 25022704) is N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine is CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1.
What is the InChIKey of N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine?
The InChIKey is AIBJZSMLYKTKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3.
What are the key properties of N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine?
N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine has a molecular weight of 320.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 25022704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).