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

C17H21N3 — CID 10587917

IUPAC2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2ccccc2CC)c1
InChIInChI=1S/C17H21N3/c1-3-13-8-7-10-15(12-13)19-17(18)20-16-11-6-5-9-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
InChIKeyDPDJFWNEKMYNBO-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.87
Rot. Bonds4

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

2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine (PubChem CID 10587917) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
PubChem CID10587917
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2ccccc2CC)c1
InChIInChI=1S/C17H21N3/c1-3-13-8-7-10-15(12-13)19-17(18)20-16-11-6-5-9-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
InChIKeyDPDJFWNEKMYNBO-UHFFFAOYSA-N
XLogP3.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.87
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 2-(2-ethylphenyl)-1-(3-ethylphenyl)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-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262109
1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
CID 139704563
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031276
2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine
CID 174348474
1-(3-ethylphenyl)-2-[[2-(methylsulfonylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111799731
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111034476
1-(3-ethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053940
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111036299
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine (CID 10587917) is 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/c2ccccc2CC)c1.
What is the InChIKey of 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine?
The InChIKey is DPDJFWNEKMYNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-13-8-7-10-15(12-13)19-17(18)20-16-11-6-5-9-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine?
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine has a molecular weight of 267.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 10587917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).