1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine

C17H21N3O2 — CID 86777560

IUPAC1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C17H21N3O2/c1-18-17(19-2)20-12-13-8-10-14(11-9-13)22-16-7-5-4-6-15(16)21-3/h4-11H,12H2,1-3H3,(H2,18,19,20)
InChIKeyYKVGVYUDBAQSFL-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.78
Rot. Bonds5

About 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine

1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine (PubChem CID 86777560) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine
PubChem CID86777560
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C17H21N3O2/c1-18-17(19-2)20-12-13-8-10-14(11-9-13)22-16-7-5-4-6-15(16)21-3/h4-11H,12H2,1-3H3,(H2,18,19,20)
InChIKeyYKVGVYUDBAQSFL-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.78
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-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471480
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methylguanidine
CID 109428335
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111762450
1-(1,1-dioxothiolan-3-yl)-3-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methylguanidine
CID 111761157
1,2-dimethyl-3-[[2-(4-methylphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111107616
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111760346
1-[(3-ethoxy-4-methoxyphenyl)methyl]-2,3-dimethylguanidine
CID 111335906
4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
CID 119322066
methyl 4-[4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenoxy]butanoate
CID 111337634
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
1,2-dimethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110913272
methyl 4-[4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenoxy]butanoate;hydroiodide
CID 111337633

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine (CID 86777560) is 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccc(Oc2ccccc2OC)cc1.
What is the InChIKey of 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine?
The InChIKey is YKVGVYUDBAQSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-18-17(19-2)20-12-13-8-10-14(11-9-13)22-16-7-5-4-6-15(16)21-3/h4-11H,12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine?
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine has a molecular weight of 299.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 86777560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).