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

C14H17N3O — CID 55012620

IUPAC2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
SMILESCc1cccc(OCCNc2ccc(N)cn2)c1
InChIInChI=1S/C14H17N3O/c1-11-3-2-4-13(9-11)18-8-7-16-14-6-5-12(15)10-17-14/h2-6,9-10H,7-8,15H2,1H3,(H,16,17)
InChIKeyJAHIWXSIMILCEE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds5

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

2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine (PubChem CID 55012620) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
PubChem CID55012620
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
SMILESCc1cccc(OCCNc2ccc(N)cn2)c1
InChIInChI=1S/C14H17N3O/c1-11-3-2-4-13(9-11)18-8-7-16-14-6-5-12(15)10-17-14/h2-6,9-10H,7-8,15H2,1H3,(H,16,17)
InChIKeyJAHIWXSIMILCEE-UHFFFAOYSA-N
XLogP2.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
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
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
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
5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
CID 55012619
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 79165242
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
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 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine (CID 55012620) is 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine is Cc1cccc(OCCNc2ccc(N)cn2)c1.
What is the InChIKey of 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
The InChIKey is JAHIWXSIMILCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-3-2-4-13(9-11)18-8-7-16-14-6-5-12(15)10-17-14/h2-6,9-10H,7-8,15H2,1H3,(H,16,17).
What are the key properties of 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine?
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 55012620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).