2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine

C16H18ClN3 — CID 10517426

IUPAC2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine
SMILESCCc1cccc(N(C)/C(N)=N/c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3/c1-3-12-7-6-8-13(11-12)20(2)16(18)19-15-10-5-4-9-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19)
InChIKeyPTIUBJFLIHQUNL-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.98
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine

2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine (PubChem CID 10517426) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine
PubChem CID10517426
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine
SMILESCCc1cccc(N(C)/C(N)=N/c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3/c1-3-12-7-6-8-13(11-12)20(2)16(18)19-15-10-5-4-9-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19)
InChIKeyPTIUBJFLIHQUNL-UHFFFAOYSA-N
XLogP3.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.98
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'}

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Related Compounds

2-(2-Chloro-5-methylsulfanylphenyl)-1-(3-ethylphenyl)-1-methylguanidine
CID 10664397
1-(3-Chlorophenyl)-6-heptyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 11255710
1-(4-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 427350
1-(3-Chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 427454
N,N'-di-(m-ethylphenyl)-N-methylguanidine
CID 9921810
Guanidine, N,N'-bis(3-ethylphenyl)-
CID 10378304
N,N''-Bis(3-propylphenyl)guanidine
CID 14771668
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
1-(2-Chloro-5-ethylphenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride
CID 22121769

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine (CID 10517426) is 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine is CCc1cccc(N(C)/C(N)=N/c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine?
The InChIKey is PTIUBJFLIHQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-3-12-7-6-8-13(11-12)20(2)16(18)19-15-10-5-4-9-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19).
What are the key properties of 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine?
2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine has a molecular weight of 287.79 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-ethylphenyl)-1-methylguanidine is sourced from PubChem (CID 10517426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).