2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine

C16H18N4 — CID 168590536

IUPAC2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine
SMILESCc1ccc(-c2ccccc2C=NN=C(N)N)cc1C
InChIInChI=1S/C16H18N4/c1-11-7-8-13(9-12(11)2)15-6-4-3-5-14(15)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20)
InChIKeyCNXREQPFMKIEDM-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.58
Rot. Bonds3

About 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine

2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine (PubChem CID 168590536) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine
PubChem CID168590536
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine
SMILESCc1ccc(-c2ccccc2C=NN=C(N)N)cc1C
InChIInChI=1S/C16H18N4/c1-11-7-8-13(9-12(11)2)15-6-4-3-5-14(15)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20)
InChIKeyCNXREQPFMKIEDM-UHFFFAOYSA-N
XLogP2.58
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
CID 168590573
4-[2-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-2-fluorobenzoic acid
CID 168592803
2-chloro-4-[2-[(diaminomethylidenehydrazinylidene)methyl]phenyl]benzoic acid
CID 168592810
2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine
CID 168591416
2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
CID 9057981
2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine
CID 168593020
[2-(3,4-dimethoxyphenyl)phenyl]methylidenehydrazine
CID 168529643
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572998
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168591849
benzyl N'-[[2-(2-methylphenyl)phenyl]methylideneamino]carbamimidothioate
CID 168611776

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine (CID 168590536) is 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine is Cc1ccc(-c2ccccc2C=NN=C(N)N)cc1C.
What is the InChIKey of 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine?
The InChIKey is CNXREQPFMKIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-7-8-13(9-12(11)2)15-6-4-3-5-14(15)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20).
What are the key properties of 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine?
2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine has a molecular weight of 266.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).