2-[[2-(methoxymethyl)phenyl]methyl]guanidine

C10H15N3O — CID 62359143

IUPAC2-[[2-(methoxymethyl)phenyl]methyl]guanidine
SMILESCOCc1ccccc1CN=C(N)N
InChIInChI=1S/C10H15N3O/c1-14-7-9-5-3-2-4-8(9)6-13-10(11)12/h2-5H,6-7H2,1H3,(H4,11,12,13)
InChIKeyDFCGVEMDOXDPPL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.61
Rot. Bonds4

About 2-[[2-(methoxymethyl)phenyl]methyl]guanidine

2-[[2-(methoxymethyl)phenyl]methyl]guanidine (PubChem CID 62359143) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)phenyl]methyl]guanidine
PubChem CID62359143
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[[2-(methoxymethyl)phenyl]methyl]guanidine
SMILESCOCc1ccccc1CN=C(N)N
InChIInChI=1S/C10H15N3O/c1-14-7-9-5-3-2-4-8(9)6-13-10(11)12/h2-5H,6-7H2,1H3,(H4,11,12,13)
InChIKeyDFCGVEMDOXDPPL-UHFFFAOYSA-N
XLogP0.61
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-[[2-(methoxymethyl)phenyl]methyl]guanidine (CID 62359143) is 2-[[2-(methoxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[2-(methoxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[2-(methoxymethyl)phenyl]methyl]guanidine is COCc1ccccc1CN=C(N)N.
What is the InChIKey of 2-[[2-(methoxymethyl)phenyl]methyl]guanidine?
The InChIKey is DFCGVEMDOXDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-14-7-9-5-3-2-4-8(9)6-13-10(11)12/h2-5H,6-7H2,1H3,(H4,11,12,13).
What are the key properties of 2-[[2-(methoxymethyl)phenyl]methyl]guanidine?
2-[[2-(methoxymethyl)phenyl]methyl]guanidine has a molecular weight of 193.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 62359143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).