2-[(4-methoxyphenyl)methoxy]guanidine

C9H13N3O2 — CID 3601250

IUPAC2-[(4-methoxyphenyl)methoxy]guanidine
SMILESCOc1ccc(CON=C(N)N)cc1
InChIInChI=1S/C9H13N3O2/c1-13-8-4-2-7(3-5-8)6-14-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)
InChIKeyQRXFNFZSDDLWDI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.40
Rot. Bonds4

About 2-[(4-methoxyphenyl)methoxy]guanidine

2-[(4-methoxyphenyl)methoxy]guanidine (PubChem CID 3601250) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]guanidine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]guanidine
PubChem CID3601250
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(4-methoxyphenyl)methoxy]guanidine
SMILESCOc1ccc(CON=C(N)N)cc1
InChIInChI=1S/C9H13N3O2/c1-13-8-4-2-7(3-5-8)6-14-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)
InChIKeyQRXFNFZSDDLWDI-UHFFFAOYSA-N
XLogP0.40
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.40
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide
CID 110005966
4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol
CID 123560154
diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
CID 3601249
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
CID 75985313
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(4-methoxyphenyl)methanol
CID 7738
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
CID 114996616

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]guanidine?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]guanidine (CID 3601250) is 2-[(4-methoxyphenyl)methoxy]guanidine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]guanidine?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]guanidine is COc1ccc(CON=C(N)N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]guanidine?
The InChIKey is QRXFNFZSDDLWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-13-8-4-2-7(3-5-8)6-14-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12).
What are the key properties of 2-[(4-methoxyphenyl)methoxy]guanidine?
2-[(4-methoxyphenyl)methoxy]guanidine has a molecular weight of 195.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]guanidine is sourced from PubChem (CID 3601250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).