2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine

C18H23N3O2 — CID 111809128

IUPAC2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCOc1cc(C/N=C(\N)Nc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C18H23N3O2/c1-4-23-17-11-14(7-10-16(17)22-3)12-20-18(19)21-15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H3,19,20,21)
InChIKeyUUNKCVYOEWCPAJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.33
Rot. Bonds6

About 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine

2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine (PubChem CID 111809128) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
PubChem CID111809128
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCOc1cc(C/N=C(\N)Nc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C18H23N3O2/c1-4-23-17-11-14(7-10-16(17)22-3)12-20-18(19)21-15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H3,19,20,21)
InChIKeyUUNKCVYOEWCPAJ-UHFFFAOYSA-N
XLogP3.33
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111101219
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111049662
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
CID 111812347
2-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111095641
2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111085687
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111809159
1-(3-chloro-4-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
CID 111804265
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111809136
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111101198
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111809094
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809135

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine (CID 111809128) is 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine is CCOc1cc(C/N=C(\N)Nc2ccc(C)cc2)ccc1OC.
What is the InChIKey of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
The InChIKey is UUNKCVYOEWCPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-17-11-14(7-10-16(17)22-3)12-20-18(19)21-15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine has a molecular weight of 313.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111809128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).