2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride

C16H19ClN4O2 — CID 54609840

IUPAC2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCOc1ccc(C(=NN=C(N)N)c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C16H18N4O2.ClH/c1-21-13-7-3-11(4-8-13)15(19-20-16(17)18)12-5-9-14(22-2)10-6-12;/h3-10H,1-2H3,(H4,17,18,20);1H
InChIKeyIVULZAPOTGUOOX-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.15
Rot. Bonds5

About 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride

2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 54609840) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID54609840
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCOc1ccc(C(=NN=C(N)N)c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C16H18N4O2.ClH/c1-21-13-7-3-11(4-8-13)15(19-20-16(17)18)12-5-9-14(22-2)10-6-12;/h3-10H,1-2H3,(H4,17,18,20);1H
InChIKeyIVULZAPOTGUOOX-UHFFFAOYSA-N
XLogP2.15
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
CID 5474390
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide
CID 87537496
(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
CID 12714057
CID 12714057

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride (CID 54609840) is 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride is COc1ccc(C(=NN=C(N)N)c2ccc(OC)cc2)cc1.Cl.
What is the InChIKey of 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is IVULZAPOTGUOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.ClH/c1-21-13-7-3-11(4-8-13)15(19-20-16(17)18)12-5-9-14(22-2)10-6-12;/h3-10H,1-2H3,(H4,17,18,20);1H.
What are the key properties of 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride?
2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54609840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).