4-ethoxybenzenecarboximidamide

C9H12N2O — CID 5048318

IUPAC4-ethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC)cc1
InChIInChI=1S/C9H12N2O/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
InChIKeyFLPFTRNWHJZQNE-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.37
Rot. Bonds3

About 4-ethoxybenzenecarboximidamide

4-ethoxybenzenecarboximidamide (PubChem CID 5048318) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-ethoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-ethoxybenzenecarboximidamide
PubChem CID5048318
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-ethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC)cc1
InChIInChI=1S/C9H12N2O/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
InChIKeyFLPFTRNWHJZQNE-UHFFFAOYSA-N
XLogP1.37
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pentamidine
CID 4735
Hexamidine
CID 65130
Propamidine
CID 64949
Propamidine dihydrochloride
CID 80467
(4-Ethoxyphenyl)methanamine
CID 808423
N'-hydroxy-4-methoxybenzene-1-carboximidamide
CID 5360053
5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
CID 676755
Pentamidine dihydrochloride
CID 10431865
4-hexyloxy-N-hydroxybenzamidine
CID 5363804
4-Methoxybenzenecarboximidamide
CID 229074
4-Ethoxybenzene-1-carbothioamide
CID 2443179
4-(Trifluoromethoxy)benzamidoxime
CID 2733309

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybenzenecarboximidamide?
The IUPAC name of 4-ethoxybenzenecarboximidamide (CID 5048318) is 4-ethoxybenzenecarboximidamide.
What is the SMILES notation for 4-ethoxybenzenecarboximidamide?
The canonical SMILES for 4-ethoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxybenzenecarboximidamide?
The InChIKey is FLPFTRNWHJZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11).
What are the key properties of 4-ethoxybenzenecarboximidamide?
4-ethoxybenzenecarboximidamide has a molecular weight of 164.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybenzenecarboximidamide is sourced from PubChem (CID 5048318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).