2-[4-(ethylamino)phenyl]guanidine

C9H14N4 — CID 25209828

IUPAC2-[4-(ethylamino)phenyl]guanidine
SMILESCCNc1ccc(N=C(N)N)cc1
InChIInChI=1S/C9H14N4/c1-2-12-7-3-5-8(6-4-7)13-9(10)11/h3-6,12H,2H2,1H3,(H4,10,11,13)
InChIKeyGSWYYWRNPPQUIJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.02
Rot. Bonds3

About 2-[4-(ethylamino)phenyl]guanidine

2-[4-(ethylamino)phenyl]guanidine (PubChem CID 25209828) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-[4-(ethylamino)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(ethylamino)phenyl]guanidine
PubChem CID25209828
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-[4-(ethylamino)phenyl]guanidine
SMILESCCNc1ccc(N=C(N)N)cc1
InChIInChI=1S/C9H14N4/c1-2-12-7-3-5-8(6-4-7)13-9(10)11/h3-6,12H,2H2,1H3,(H4,10,11,13)
InChIKeyGSWYYWRNPPQUIJ-UHFFFAOYSA-N
XLogP1.02
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)phenyl]guanidine?
The IUPAC name of 2-[4-(ethylamino)phenyl]guanidine (CID 25209828) is 2-[4-(ethylamino)phenyl]guanidine.
What is the SMILES notation for 2-[4-(ethylamino)phenyl]guanidine?
The canonical SMILES for 2-[4-(ethylamino)phenyl]guanidine is CCNc1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-[4-(ethylamino)phenyl]guanidine?
The InChIKey is GSWYYWRNPPQUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-12-7-3-5-8(6-4-7)13-9(10)11/h3-6,12H,2H2,1H3,(H4,10,11,13).
What are the key properties of 2-[4-(ethylamino)phenyl]guanidine?
2-[4-(ethylamino)phenyl]guanidine has a molecular weight of 178.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)phenyl]guanidine is sourced from PubChem (CID 25209828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).