2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine

C17H21N3O2 — CID 111053993

IUPAC2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
SMILESCOCc1cccc(C/N=C(\N)Nc2cccc(OC)c2)c1
InChIInChI=1S/C17H21N3O2/c1-21-12-14-6-3-5-13(9-14)11-19-17(18)20-15-7-4-8-16(10-15)22-2/h3-10H,11-12H2,1-2H3,(H3,18,19,20)
InChIKeyNKMBIKHBESVNTD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.77
Rot. Bonds6

About 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine

2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine (PubChem CID 111053993) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
PubChem CID111053993
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
SMILESCOCc1cccc(C/N=C(\N)Nc2cccc(OC)c2)c1
InChIInChI=1S/C17H21N3O2/c1-21-12-14-6-3-5-13(9-14)11-19-17(18)20-15-7-4-8-16(10-15)22-2/h3-10H,11-12H2,1-2H3,(H3,18,19,20)
InChIKeyNKMBIKHBESVNTD-UHFFFAOYSA-N
XLogP2.77
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.77
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-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111051036
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
2-[[2-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111053898
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
1-(3-methoxyphenyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111048024
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
benzyl 3-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111099727
1-(3-methoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111032679
1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050435
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine (CID 111053993) is 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine is COCc1cccc(C/N=C(\N)Nc2cccc(OC)c2)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine?
The InChIKey is NKMBIKHBESVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-12-14-6-3-5-13(9-14)11-19-17(18)20-15-7-4-8-16(10-15)22-2/h3-10H,11-12H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine?
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine has a molecular weight of 299.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 111053993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).