1-ethyl-2-methyl-3-phenylguanidine

C10H15N3 — CID 140989198

IUPAC1-ethyl-2-methyl-3-phenylguanidine
SMILESCCN/C(=N\C)Nc1ccccc1
InChIInChI=1S/C10H15N3/c1-3-12-10(11-2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,11,12,13)
InChIKeyGNGHSYBAPYMPMO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.69
Rot. Bonds2

About 1-ethyl-2-methyl-3-phenylguanidine

1-ethyl-2-methyl-3-phenylguanidine (PubChem CID 140989198) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-phenylguanidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-phenylguanidine
PubChem CID140989198
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-ethyl-2-methyl-3-phenylguanidine
SMILESCCN/C(=N\C)Nc1ccccc1
InChIInChI=1S/C10H15N3/c1-3-12-10(11-2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,11,12,13)
InChIKeyGNGHSYBAPYMPMO-UHFFFAOYSA-N
XLogP1.69
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-methyl-3-phenylguanidine 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

1-cyano-2-methyl-3-phenylguanidine;ethane
CID 90945142
N-(N'-methyl-N-phenylcarbamimidoyl)acetamide
CID 57075096
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1,3-diethyl-2-methylguanidine
CID 58687650
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111390105
1-ethyl-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 71931073
1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 66863219
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
CID 110934385
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111178675

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-phenylguanidine?
The IUPAC name of 1-ethyl-2-methyl-3-phenylguanidine (CID 140989198) is 1-ethyl-2-methyl-3-phenylguanidine.
What is the SMILES notation for 1-ethyl-2-methyl-3-phenylguanidine?
The canonical SMILES for 1-ethyl-2-methyl-3-phenylguanidine is CCN/C(=N\C)Nc1ccccc1.
What is the InChIKey of 1-ethyl-2-methyl-3-phenylguanidine?
The InChIKey is GNGHSYBAPYMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-12-10(11-2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-ethyl-2-methyl-3-phenylguanidine?
1-ethyl-2-methyl-3-phenylguanidine has a molecular weight of 177.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-phenylguanidine is sourced from PubChem (CID 140989198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).