2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine

C15H16N4O — CID 168591706

IUPAC2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)cc1-c1ccccc1
InChIInChI=1S/C15H16N4O/c1-20-14-8-7-11(10-18-19-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-10H,1H3,(H4,16,17,19)
InChIKeyWWWAABGVVNELCA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.97
Rot. Bonds4

About 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine

2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine (PubChem CID 168591706) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
PubChem CID168591706
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)cc1-c1ccccc1
InChIInChI=1S/C15H16N4O/c1-20-14-8-7-11(10-18-19-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-10H,1H3,(H4,16,17,19)
InChIKeyWWWAABGVVNELCA-UHFFFAOYSA-N
XLogP1.97
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.97
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

2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-2-phenylacetic acid
CID 168591498
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880684
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxybenzenesulfonic acid;hydrochloride
CID 54601430
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenyl] 2-methylpropanoate
CID 168590735

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine (CID 168591706) is 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine is COc1ccc(C=NN=C(N)N)cc1-c1ccccc1.
What is the InChIKey of 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine?
The InChIKey is WWWAABGVVNELCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-14-8-7-11(10-18-19-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-10H,1H3,(H4,16,17,19).
What are the key properties of 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine?
2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine has a molecular weight of 268.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).