1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine

C19H25N3O3 — CID 111025242

IUPAC1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCCOc1ccc(OCC)c(N/C(N)=N/Cc2ccccc2OC)c1
InChIInChI=1S/C19H25N3O3/c1-4-24-15-10-11-18(25-5-2)16(12-15)22-19(20)21-13-14-8-6-7-9-17(14)23-3/h6-12H,4-5,13H2,1-3H3,(H3,20,21,22)
InChIKeyKKGIIAUYHCYHBY-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.42
Rot. Bonds8

About 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine

1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine (PubChem CID 111025242) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
PubChem CID111025242
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCCOc1ccc(OCC)c(N/C(N)=N/Cc2ccccc2OC)c1
InChIInChI=1S/C19H25N3O3/c1-4-24-15-10-11-18(25-5-2)16(12-15)22-19(20)21-13-14-8-6-7-9-17(14)23-3/h6-12H,4-5,13H2,1-3H3,(H3,20,21,22)
InChIKeyKKGIIAUYHCYHBY-UHFFFAOYSA-N
XLogP3.42
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-diethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]guanidine
CID 111084041
1-(2,5-diethoxyphenyl)-2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
CID 111813264
1-(2,5-dimethoxyphenyl)-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111810172
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111812929
1-(2,5-diethoxyphenyl)-2-[[2-(dimethylamino)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111055998
1-(2,5-diethoxyphenyl)-2-[[3-(methoxymethyl)phenyl]methyl]guanidine
CID 111054067
1-(2,5-diethoxyphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033288
1-(2,5-diethoxyphenyl)-2-[[3-[(dimethylamino)methyl]phenyl]methyl]guanidine
CID 111064494
2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251
1-(2,5-diethoxyphenyl)-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804440
1-(2,5-diethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023388
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111036308

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine (CID 111025242) is 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine is CCOc1ccc(OCC)c(N/C(N)=N/Cc2ccccc2OC)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine?
The InChIKey is KKGIIAUYHCYHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-15-10-11-18(25-5-2)16(12-15)22-19(20)21-13-14-8-6-7-9-17(14)23-3/h6-12H,4-5,13H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine?
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine has a molecular weight of 343.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111025242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).