2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine

C17H20ClN3 — CID 54351983

IUPAC2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine
SMILESCCc1cccc(N(C)/C(N)=N/c2cccc(C)c2Cl)c1
InChIInChI=1S/C17H20ClN3/c1-4-13-8-6-9-14(11-13)21(3)17(19)20-15-10-5-7-12(2)16(15)18/h5-11H,4H2,1-3H3,(H2,19,20)
InChIKeyUGKJWAPDDFYFHT-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.29
Rot. Bonds3

About 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine

2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine (PubChem CID 54351983) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine
PubChem CID54351983
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine
SMILESCCc1cccc(N(C)/C(N)=N/c2cccc(C)c2Cl)c1
InChIInChI=1S/C17H20ClN3/c1-4-13-8-6-9-14(11-13)21(3)17(19)20-15-10-5-7-12(2)16(15)18/h5-11H,4H2,1-3H3,(H2,19,20)
InChIKeyUGKJWAPDDFYFHT-UHFFFAOYSA-N
XLogP4.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.29
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

1-(3-ethylphenyl)-2-(2-iodophenyl)-1-methylguanidine;hydrochloride
CID 45261999
2-[2-chloro-5-ethyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262089
2-[2-chloro-3,5-bis(methylsulfanyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262094
2-(3-bromo-2-chloro-5-methylsulfanylphenyl)-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262122
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 22121806
2-(2-chloro-5-ethylphenyl)-1-(3-iodophenyl)-1-methylguanidine
CID 18751563
1-(3-ethylphenyl)-1-methyl-2-(2-oxochromen-8-yl)guanidine;hydrochloride
CID 21191524
1-(3-ethylphenyl)-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylguanidine;hydrochloride
CID 22121774
2-(2-bromo-5-ethyl-3-methylsulfanylphenyl)-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45265207
2-[2-bromo-5-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 22121786
1-(3-ethylphenyl)-1-methylguanidine
CID 19009787
2-(2-bromo-5-ethylphenyl)-1-methyl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 10597974

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine?
The IUPAC name of 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine (CID 54351983) is 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine is CCc1cccc(N(C)/C(N)=N/c2cccc(C)c2Cl)c1.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine?
The InChIKey is UGKJWAPDDFYFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-4-13-8-6-9-14(11-13)21(3)17(19)20-15-10-5-7-12(2)16(15)18/h5-11H,4H2,1-3H3,(H2,19,20).
What are the key properties of 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine?
2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine has a molecular weight of 301.82 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine is sourced from PubChem (CID 54351983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).