diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium

C9H14N3O2+ — CID 3601249

IUPACdiaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
SMILESCOc1ccc(CO[NH+]=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)/p+1
InChIKeyQRXFNFZSDDLWDI-UHFFFAOYSA-O
MW196.23 g/mol
LogP-1.52
Rot. Bonds4

About diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium

diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium (PubChem CID 3601249) has the molecular formula C9H14N3O2+ and a molecular weight of 196.23 g/mol. Its IUPAC name is diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium.

Molecular Properties

Compound Namediaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
PubChem CID3601249
Molecular FormulaC9H14N3O2+
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Namediaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
SMILESCOc1ccc(CO[NH+]=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)/p+1
InChIKeyQRXFNFZSDDLWDI-UHFFFAOYSA-O
XLogP-1.52
TPSA84.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[(4-methoxyphenyl)methoxy]guanidine
CID 3601250
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
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
[amino(diaminomethylideneazaniumyl)methylidene]-[(4-methoxyphenyl)methyl]azanium
CID 4985896
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(4-methoxyphenyl)methanol
CID 7738
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
tetrakis[(4-methoxyphenyl)methoxy]boranuide
CID 101479355

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium?
The IUPAC name of diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium (CID 3601249) is diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium.
What is the SMILES notation for diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium?
The canonical SMILES for diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium is COc1ccc(CO[NH+]=C(N)N)cc1.
What is the InChIKey of diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium?
The InChIKey is QRXFNFZSDDLWDI-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium?
diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium has a molecular weight of 196.23 g/mol, XLogP of -1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium is sourced from PubChem (CID 3601249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).