1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride

C19H25Cl2N3 — CID 22121769

IUPAC1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N(C)c1cccc(CC)c1)N(C)c1cc(CC)ccc1Cl
InChIInChI=1S/C19H24ClN3.ClH/c1-5-14-8-7-9-16(12-14)22(3)19(21)23(4)18-13-15(6-2)10-11-17(18)20;/h7-13,21H,5-6H2,1-4H3;1H/b21-19+;
InChIKeyRZQXCDGAQUSZBL-UXJRWBAGSA-N
MW366.34 g/mol
LogP5.39
Rot. Bonds4

About 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride

1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride (PubChem CID 22121769) has the molecular formula C19H25Cl2N3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride
PubChem CID22121769
Molecular FormulaC19H25Cl2N3
Molecular Weight366.34 g/mol
Exact Mass365.14
IUPAC Name1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N(C)c1cccc(CC)c1)N(C)c1cc(CC)ccc1Cl
InChIInChI=1S/C19H24ClN3.ClH/c1-5-14-8-7-9-16(12-14)22(3)19(21)23(4)18-13-15(6-2)10-11-17(18)20;/h7-13,21H,5-6H2,1-4H3;1H/b21-19+;
InChIKeyRZQXCDGAQUSZBL-UXJRWBAGSA-N
XLogP5.39
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.39
H-Bond Donors ≤ 51
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-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride 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

N-(2,4-dichlorobenzyl)-N'-isopropyl-N''-phenylguanidine
CID 3419611
N-(3-ethylphenyl)-N-methyl-N'-(2,5-dichlorophenyl)guanidine hydrochloride
CID 22120065
2-(2,5-Dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 22120071
1-(2,5-Dichlorophenyl)-2-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 22120072
1-(2,5-Dichlorophenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride
CID 22120124
6-(3-Chlorophenyl)-1-(3,5-dimethylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 17060771
2-benzyl-1-(4-chlorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 24192113
1-(4-chlorophenyl)-2-(2-phenylethyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 24192114
1-(2-Chloro-5-ethylphenyl)-2-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45261990
2-(2-Chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262007
2-(2-Chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262054
2-(4-Chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262068

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride?
The IUPAC name of 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride (CID 22121769) is 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride?
The canonical SMILES for 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride is Cl.[H]/N=C(\N(C)c1cccc(CC)c1)N(C)c1cc(CC)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride?
The InChIKey is RZQXCDGAQUSZBL-UXJRWBAGSA-N. The full InChI is InChI=1S/C19H24ClN3.ClH/c1-5-14-8-7-9-16(12-14)22(3)19(21)23(4)18-13-15(6-2)10-11-17(18)20;/h7-13,21H,5-6H2,1-4H3;1H/b21-19+;.
What are the key properties of 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride?
1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride has a molecular weight of 366.34 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride is sourced from PubChem (CID 22121769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).