4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine

C15H19N3O — CID 79177071

IUPAC4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
SMILESCc1cccc(OCCNc2cc(C)c(N)cn2)c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-13(8-11)19-7-6-17-15-9-12(2)14(16)10-18-15/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyUTIJFIGDRPDIMI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds5

About 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine

4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine (PubChem CID 79177071) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
PubChem CID79177071
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
SMILESCc1cccc(OCCNc2cc(C)c(N)cn2)c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-13(8-11)19-7-6-17-15-9-12(2)14(16)10-18-15/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyUTIJFIGDRPDIMI-UHFFFAOYSA-N
XLogP2.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
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

5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 79165242
6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80814624
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
CID 62482638
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
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]aniline
CID 54796212

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine (CID 79177071) is 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine is Cc1cccc(OCCNc2cc(C)c(N)cn2)c1.
What is the InChIKey of 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
The InChIKey is UTIJFIGDRPDIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-3-5-13(8-11)19-7-6-17-15-9-12(2)14(16)10-18-15/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 79177071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).