1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine

C16H19N3 — CID 67555783

IUPAC1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine
SMILES[H]/N=C(\N)N(c1cccc(C)c1)c1ccccc1CC
InChIInChI=1S/C16H19N3/c1-3-13-8-4-5-10-15(13)19(16(17)18)14-9-6-7-12(2)11-14/h4-11H,3H2,1-2H3,(H3,17,18)
InChIKeyXTSOWYMKUDRRBI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine

1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine (PubChem CID 67555783) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine
PubChem CID67555783
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine
SMILES[H]/N=C(\N)N(c1cccc(C)c1)c1ccccc1CC
InChIInChI=1S/C16H19N3/c1-3-13-8-4-5-10-15(13)19(16(17)18)14-9-6-7-12(2)11-14/h4-11H,3H2,1-2H3,(H3,17,18)
InChIKeyXTSOWYMKUDRRBI-UHFFFAOYSA-N
XLogP3.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.59
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-(2-ethylphenyl)-1-(3-methylphenyl)guanidine 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

2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
1-(2-bromo-5-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 22120098
2-(N-ethyl-3-methylanilino)ethanimidamide
CID 61075863
5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 62493758
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
CID 115563267
2-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)propanamide
CID 138358513
4-[(N-ethyl-3-methylanilino)methyl]-3-fluorobenzenecarboximidamide
CID 61075864
N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine
CID 18752264
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695
1-ethanimidoyl-1-(3-methylphenyl)thiourea
CID 21420650

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine?
The IUPAC name of 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine (CID 67555783) is 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine?
The canonical SMILES for 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine is [H]/N=C(\N)N(c1cccc(C)c1)c1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine?
The InChIKey is XTSOWYMKUDRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-13-8-4-5-10-15(13)19(16(17)18)14-9-6-7-12(2)11-14/h4-11H,3H2,1-2H3,(H3,17,18).
What are the key properties of 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine?
1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine has a molecular weight of 253.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 67555783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).