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

C15H17Cl2N3 — CID 45265082

IUPAC2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C15H16ClN3.ClH/c1-2-11-5-3-7-13(9-11)18-15(17)19-14-8-4-6-12(16)10-14;/h3-10H,2H2,1H3,(H3,17,18,19);1H
InChIKeyDLMHMTWBCUFHTN-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.38
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (PubChem CID 45265082) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
PubChem CID45265082
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C15H16ClN3.ClH/c1-2-11-5-3-7-13(9-11)18-15(17)19-14-8-4-6-12(16)10-14;/h3-10H,2H2,1H3,(H3,17,18,19);1H
InChIKeyDLMHMTWBCUFHTN-UHFFFAOYSA-N
XLogP4.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.38
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

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CID 7333
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CID 734384
N,N'-Bis-(4-butyl-phenyl)-guanidine
CID 10496171
N,N''-Bis(4-ethylphenyl)guanidine
CID 14771671
N-(2,4-dichlorobenzyl)-N'-isopropyl-N''-phenylguanidine
CID 3419611
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CID 16073802
1-(3-Chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 427454
N~4~-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 879244
1-(3-Chloro-5-cyanophenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine
CID 9926005
1-(3-Chloro-5-cyanophenyl)-3-cyano-2-(3-ethylpentan-3-yl)guanidine
CID 10018745
2-Amino-7-chloro-3,4-dihydroquinazoline
CID 10035245

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (CID 45265082) is 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is CCc1cccc(N/C(N)=N/c2cccc(Cl)c2)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The InChIKey is DLMHMTWBCUFHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3.ClH/c1-2-11-5-3-7-13(9-11)18-15(17)19-14-8-4-6-12(16)10-14;/h3-10H,2H2,1H3,(H3,17,18,19);1H.
What are the key properties of 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride has a molecular weight of 310.23 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 45265082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).