2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine

C15H19N3O — CID 80815231

IUPAC2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
SMILESCNc1cccc(NCCOc2cccc(C)c2)n1
InChIInChI=1S/C15H19N3O/c1-12-5-3-6-13(11-12)19-10-9-17-15-8-4-7-14(16-2)18-15/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyUAAFIRGYZOTVKS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.92
Rot. Bonds6

About 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine

2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine (PubChem CID 80815231) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
PubChem CID80815231
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
SMILESCNc1cccc(NCCOc2cccc(C)c2)n1
InChIInChI=1S/C15H19N3O/c1-12-5-3-6-13(11-12)19-10-9-17-15-8-4-7-14(16-2)18-15/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyUAAFIRGYZOTVKS-UHFFFAOYSA-N
XLogP2.92
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80814624
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
CID 62482638
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66330376

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine (CID 80815231) is 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine is CNc1cccc(NCCOc2cccc(C)c2)n1.
What is the InChIKey of 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine?
The InChIKey is UAAFIRGYZOTVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-5-3-6-13(11-12)19-10-9-17-15-8-4-7-14(16-2)18-15/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine?
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 80815231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).