2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine

C15H16N4O — CID 168590573

IUPAC2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
SMILESCOc1ccc(-c2ccccc2C=NN=C(N)N)cc1
InChIInChI=1S/C15H16N4O/c1-20-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-18-19-15(16)17/h2-10H,1H3,(H4,16,17,19)
InChIKeyTXYPHEXSUUFMKM-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.97
Rot. Bonds4

About 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine

2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine (PubChem CID 168590573) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
PubChem CID168590573
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
SMILESCOc1ccc(-c2ccccc2C=NN=C(N)N)cc1
InChIInChI=1S/C15H16N4O/c1-20-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-18-19-15(16)17/h2-10H,1H3,(H4,16,17,19)
InChIKeyTXYPHEXSUUFMKM-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-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine
CID 168590536
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572998
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
CID 168591904
2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine
CID 168593020
4-[2-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-2-fluorobenzoic acid
CID 168592803
2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine
CID 19089172
2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine
CID 168591416
2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
CID 168591706
2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine
CID 168591768
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
[2-(3,4-dimethoxyphenyl)phenyl]methylidenehydrazine
CID 168529643
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine (CID 168590573) is 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine is COc1ccc(-c2ccccc2C=NN=C(N)N)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine?
The InChIKey is TXYPHEXSUUFMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-18-19-15(16)17/h2-10H,1H3,(H4,16,17,19).
What are the key properties of 2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine?
2-[[2-(4-methoxyphenyl)phenyl]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-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).