2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine

C20H20ClN3 — CID 154448676

IUPAC2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine
SMILESCCc1ccc(Cl)c(/N=C(\N)N(C)c2cccc3ccccc23)c1
InChIInChI=1S/C20H20ClN3/c1-3-14-11-12-17(21)18(13-14)23-20(22)24(2)19-10-6-8-15-7-4-5-9-16(15)19/h4-13H,3H2,1-2H3,(H2,22,23)
InChIKeyRGLFTFWYANLLGK-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.14
Rot. Bonds3

About 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine

2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine (PubChem CID 154448676) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine
PubChem CID154448676
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine
SMILESCCc1ccc(Cl)c(/N=C(\N)N(C)c2cccc3ccccc23)c1
InChIInChI=1S/C20H20ClN3/c1-3-14-11-12-17(21)18(13-14)23-20(22)24(2)19-10-6-8-15-7-4-5-9-16(15)19/h4-13H,3H2,1-2H3,(H2,22,23)
InChIKeyRGLFTFWYANLLGK-UHFFFAOYSA-N
XLogP5.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.14
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-ethylphenyl)-1-(3-iodophenyl)-1-methylguanidine
CID 18751563
1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride
CID 19063251
1-(2-chloro-5-ethylphenyl)-2-(3-iodophenyl)-1-methylguanidine
CID 18752114
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 22121806
3-ethyl-N-methyl-N-naphthalen-1-ylbenzamide
CID 90124264
1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121805
1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine
CID 118721793
1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine
CID 54062819
2-(2-chloro-3-methylphenyl)-1-(3-ethylphenyl)-1-methylguanidine
CID 54351983
1-(3-ethyl-2,4,6-trifluorophenyl)-1-methyl-2-naphthalen-1-ylguanidine
CID 18752246
2-[2-chloro-5-ethyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262089
1-(3-ethylphenyl)-2-(2-iodophenyl)-1-methylguanidine;hydrochloride
CID 45261999

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine?
The IUPAC name of 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine (CID 154448676) is 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine.
What is the SMILES notation for 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine?
The canonical SMILES for 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine is CCc1ccc(Cl)c(/N=C(\N)N(C)c2cccc3ccccc23)c1.
What is the InChIKey of 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine?
The InChIKey is RGLFTFWYANLLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c1-3-14-11-12-17(21)18(13-14)23-20(22)24(2)19-10-6-8-15-7-4-5-9-16(15)19/h4-13H,3H2,1-2H3,(H2,22,23).
What are the key properties of 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine?
2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine has a molecular weight of 337.85 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine is sourced from PubChem (CID 154448676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).