N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine

C13H15N3O — CID 62482638

IUPACN-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
SMILESCc1cccc(OCCNc2cccnn2)c1
InChIInChI=1S/C13H15N3O/c1-11-4-2-5-12(10-11)17-9-8-14-13-6-3-7-15-16-13/h2-7,10H,8-9H2,1H3,(H,14,16)
InChIKeyOUAKOBRMTQBBPK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine

N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine (PubChem CID 62482638) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
PubChem CID62482638
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
SMILESCc1cccc(OCCNc2cccnn2)c1
InChIInChI=1S/C13H15N3O/c1-11-4-2-5-12(10-11)17-9-8-14-13-6-3-7-15-16-13/h2-7,10H,8-9H2,1H3,(H,14,16)
InChIKeyOUAKOBRMTQBBPK-UHFFFAOYSA-N
XLogP2.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
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-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 64914980
6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80814624
3-[2-(3-methylphenoxy)ethylamino]pyrazine-2-carbothioamide
CID 62683112
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine (CID 62482638) is N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine is Cc1cccc(OCCNc2cccnn2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine?
The InChIKey is OUAKOBRMTQBBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-11-4-2-5-12(10-11)17-9-8-14-13-6-3-7-15-16-13/h2-7,10H,8-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine?
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine is sourced from PubChem (CID 62482638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).