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

C16H19N3O — CID 111031398

IUPAC1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccccc2C)cc1
InChIInChI=1S/C16H19N3O/c1-12-5-3-4-6-13(12)11-18-16(17)19-14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3,(H3,17,18,19)
InChIKeyBUHNWLYKROVGJL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.93
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine (PubChem CID 111031398) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
PubChem CID111031398
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccccc2C)cc1
InChIInChI=1S/C16H19N3O/c1-12-5-3-4-6-13(12)11-18-16(17)19-14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3,(H3,17,18,19)
InChIKeyBUHNWLYKROVGJL-UHFFFAOYSA-N
XLogP2.93
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.93
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-(4-methoxyphenyl)-2-[(2-nitrophenyl)methyl]guanidine
CID 111045160
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-(4-methoxyphenyl)-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111037926
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
1-(4-methoxyphenyl)-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111090233
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
CID 111050696
1-(4-methoxyphenyl)-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045247
2-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111031471
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111053050
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine (CID 111031398) is 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine is COc1ccc(N/C(N)=N/Cc2ccccc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine?
The InChIKey is BUHNWLYKROVGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-3-4-6-13(12)11-18-16(17)19-14-7-9-15(20-2)10-8-14/h3-10H,11H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine?
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 111031398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).