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

C17H22ClN3 — CID 45265059

IUPAC2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2ccccc2CC)c1.Cl
InChIInChI=1S/C17H21N3.ClH/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);1H
InChIKeyMIDRBERQSDURQI-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.29
Rot. Bonds4

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

2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (PubChem CID 45265059) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
PubChem CID45265059
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2ccccc2CC)c1.Cl
InChIInChI=1S/C17H21N3.ClH/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);1H
InChIKeyMIDRBERQSDURQI-UHFFFAOYSA-N
XLogP4.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.29
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'}

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Related Compounds

2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
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;hydrochloride?
The IUPAC name of 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (CID 45265059) is 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is CCc1cccc(N/C(N)=N/c2ccccc2CC)c1.Cl.
What is the InChIKey of 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The InChIKey is MIDRBERQSDURQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.ClH/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);1H.
What are the key properties of 2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 4.29, 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;hydrochloride is sourced from PubChem (CID 45265059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).