1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine

C16H19N5O2 — CID 129010573

IUPAC1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine
SMILESCOc1cccc(COc2ccc(/N=C(\N)N=C(N)N)cc2)c1
InChIInChI=1S/C16H19N5O2/c1-22-14-4-2-3-11(9-14)10-23-13-7-5-12(6-8-13)20-16(19)21-15(17)18/h2-9H,10H2,1H3,(H6,17,18,19,20,21)
InChIKeyQNPQQAXLGWCJRH-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.49
Rot. Bonds5

About 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine (PubChem CID 129010573) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine
PubChem CID129010573
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine
SMILESCOc1cccc(COc2ccc(/N=C(\N)N=C(N)N)cc2)c1
InChIInChI=1S/C16H19N5O2/c1-22-14-4-2-3-11(9-14)10-23-13-7-5-12(6-8-13)20-16(19)21-15(17)18/h2-9H,10H2,1H3,(H6,17,18,19,20,21)
InChIKeyQNPQQAXLGWCJRH-UHFFFAOYSA-N
XLogP1.49
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine (CID 129010573) is 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine is COc1cccc(COc2ccc(/N=C(\N)N=C(N)N)cc2)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine?
The InChIKey is QNPQQAXLGWCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-22-14-4-2-3-11(9-14)10-23-13-7-5-12(6-8-13)20-16(19)21-15(17)18/h2-9H,10H2,1H3,(H6,17,18,19,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine has a molecular weight of 313.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]guanidine is sourced from PubChem (CID 129010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).