2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane

C10H16Cl2N4O — CID 159811926

IUPAC2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane
SMILESC.NC(N)=NNCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C9H12Cl2N4O.CH4/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13;/h1-3,14H,4-5H2,(H4,12,13,15);1H4
InChIKeyNLDGOMBLRYDLHP-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane

2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane (PubChem CID 159811926) has the molecular formula C10H16Cl2N4O and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane
PubChem CID159811926
Molecular FormulaC10H16Cl2N4O
Molecular Weight279.17 g/mol
Exact Mass278.07
IUPAC Name2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane
SMILESC.NC(N)=NNCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C9H12Cl2N4O.CH4/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13;/h1-3,14H,4-5H2,(H4,12,13,15);1H4
InChIKeyNLDGOMBLRYDLHP-UHFFFAOYSA-N
XLogP1.79
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane?
The IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane (CID 159811926) is 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane.
What is the SMILES notation for 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane?
The canonical SMILES for 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane is C.NC(N)=NNCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane?
The InChIKey is NLDGOMBLRYDLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O.CH4/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13;/h1-3,14H,4-5H2,(H4,12,13,15);1H4.
What are the key properties of 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane?
2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane has a molecular weight of 279.17 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;methane is sourced from PubChem (CID 159811926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).