2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine

C9H12Cl2N4O — CID 95469367

IUPAC2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine
SMILESNC(N)=NNCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N4O/c10-6-2-1-3-7(8(6)11)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)
InChIKeyANIWOZNJRAHSBZ-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine

2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine (PubChem CID 95469367) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine
PubChem CID95469367
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine
SMILESNC(N)=NNCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N4O/c10-6-2-1-3-7(8(6)11)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)
InChIKeyANIWOZNJRAHSBZ-UHFFFAOYSA-N
XLogP1.15
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.15
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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Related Compounds

2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;sulfuric acid
CID 159030999
2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
CID 95455698
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
CID 94694082
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62599216
2-[2-(2,4,5-trimethylphenoxy)ethylamino]guanidine
CID 95452675
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
1,2-dichloro-3-(2-isothiocyanatoethoxy)benzene
CID 82086707
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
1-tert-butyl-3-[2-(2,3-dichlorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110964298
1-[2-(2,3-dichlorophenoxy)ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110979757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine?
The IUPAC name of 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine (CID 95469367) is 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine.
What is the SMILES notation for 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine?
The canonical SMILES for 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine is NC(N)=NNCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine?
The InChIKey is ANIWOZNJRAHSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c10-6-2-1-3-7(8(6)11)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15).
What are the key properties of 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine?
2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine has a molecular weight of 263.13 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine is sourced from PubChem (CID 95469367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).