2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine

C12H17ClN4O2 — CID 140788358

IUPAC2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine
SMILESCCOCCON/C(N)=N\N=Cc1ccccc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-2-18-7-8-19-17-12(14)16-15-9-10-5-3-4-6-11(10)13/h3-6,9H,2,7-8H2,1H3,(H3,14,16,17)
InChIKeyPGPOIDZGBLXYTB-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.55
Rot. Bonds7

About 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine

2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine (PubChem CID 140788358) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine
PubChem CID140788358
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine
SMILESCCOCCON/C(N)=N\N=Cc1ccccc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-2-18-7-8-19-17-12(14)16-15-9-10-5-3-4-6-11(10)13/h3-6,9H,2,7-8H2,1H3,(H3,14,16,17)
InChIKeyPGPOIDZGBLXYTB-UHFFFAOYSA-N
XLogP1.55
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine?
The IUPAC name of 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine (CID 140788358) is 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine?
The canonical SMILES for 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine is CCOCCON/C(N)=N\N=Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine?
The InChIKey is PGPOIDZGBLXYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-2-18-7-8-19-17-12(14)16-15-9-10-5-3-4-6-11(10)13/h3-6,9H,2,7-8H2,1H3,(H3,14,16,17).
What are the key properties of 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine?
2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine has a molecular weight of 284.75 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine is sourced from PubChem (CID 140788358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).