1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine

C18H23N3O — CID 111046944

IUPAC1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2cccc(OC)c2)c1
InChIInChI=1S/C18H23N3O/c1-3-14-6-4-8-16(12-14)21-18(19)20-11-10-15-7-5-9-17(13-15)22-2/h4-9,12-13H,3,10-11H2,1-2H3,(H3,19,20,21)
InChIKeyAUZLMDYCONHOBV-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.23
Rot. Bonds6

About 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine

1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine (PubChem CID 111046944) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
PubChem CID111046944
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2cccc(OC)c2)c1
InChIInChI=1S/C18H23N3O/c1-3-14-6-4-8-16(12-14)21-18(19)20-11-10-15-7-5-9-17(13-15)22-2/h4-9,12-13H,3,10-11H2,1-2H3,(H3,19,20,21)
InChIKeyAUZLMDYCONHOBV-UHFFFAOYSA-N
XLogP3.23
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
1-(3-ethylphenyl)-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111816945
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(4-ethylphenyl)-2-[3-(3-methoxyphenyl)propyl]guanidine
CID 111099326
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
2-[2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111046942
1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111043095
2-[2-(3-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111046969
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046955
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110920131

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine (CID 111046944) is 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine is CCc1cccc(N/C(N)=N/CCc2cccc(OC)c2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine?
The InChIKey is AUZLMDYCONHOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-14-6-4-8-16(12-14)21-18(19)20-11-10-15-7-5-9-17(13-15)22-2/h4-9,12-13H,3,10-11H2,1-2H3,(H3,19,20,21).
What are the key properties of 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine?
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine has a molecular weight of 297.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111046944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).