2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine

C19H25N3O2 — CID 111049662

IUPAC2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCCOc1ccc(C/N=C(\N)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H25N3O2/c1-4-11-24-17-10-7-15(12-18(17)23-3)13-21-19(20)22-16-8-5-14(2)6-9-16/h5-10,12H,4,11,13H2,1-3H3,(H3,20,21,22)
InChIKeyQFLUCLMIAFYXMW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.72
Rot. Bonds7

About 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine

2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine (PubChem CID 111049662) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
PubChem CID111049662
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCCOc1ccc(C/N=C(\N)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H25N3O2/c1-4-11-24-17-10-7-15(12-18(17)23-3)13-21-19(20)22-16-8-5-14(2)6-9-16/h5-10,12H,4,11,13H2,1-3H3,(H3,20,21,22)
InChIKeyQFLUCLMIAFYXMW-UHFFFAOYSA-N
XLogP3.72
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.72
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

2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111809128
2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111066621
1-(3,4-dimethylphenyl)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine
CID 111066641
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-hydroxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111101219
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111049649
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111049697
1-(3-ethylphenyl)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine;hydroiodide
CID 111066654
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
CID 111812347
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine (CID 111049662) is 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine is CCCOc1ccc(C/N=C(\N)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
The InChIKey is QFLUCLMIAFYXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-11-24-17-10-7-15(12-18(17)23-3)13-21-19(20)22-16-8-5-14(2)6-9-16/h5-10,12H,4,11,13H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine?
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine has a molecular weight of 327.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111049662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).