2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine

C11H16N4O2 — CID 14816037

IUPAC2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine
SMILESCc1ccc(OC/C=N/N=C(\N)NO)c(C)c1
InChIInChI=1S/C11H16N4O2/c1-8-3-4-10(9(2)7-8)17-6-5-13-14-11(12)15-16/h3-5,7,16H,6H2,1-2H3,(H3,12,14,15)/b13-5+
InChIKeyAQYZDVQPYNAASN-WLRTZDKTSA-N
MW236.28 g/mol
LogP0.96
Rot. Bonds4

About 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine

2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine (PubChem CID 14816037) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine
PubChem CID14816037
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine
SMILESCc1ccc(OC/C=N/N=C(\N)NO)c(C)c1
InChIInChI=1S/C11H16N4O2/c1-8-3-4-10(9(2)7-8)17-6-5-13-14-11(12)15-16/h3-5,7,16H,6H2,1-2H3,(H3,12,14,15)/b13-5+
InChIKeyAQYZDVQPYNAASN-WLRTZDKTSA-N
XLogP0.96
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
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

bis(2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine);sulfuric acid
CID 172886870
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene
CID 143283214
methyl 4-(2,4-dimethylphenoxy)-2-methylbut-2-enoate
CID 77076214
methyl 4-(2,4-dimethylphenoxy)-2-ethylbut-2-enoate
CID 77100370
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20989546
3-(2,4-dimethylphenoxy)-2,2-dimethylpropanethioamide
CID 82083934
1-hydroxy-2-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid
CID 172940204
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
5-bromo-2-[2-(2,4-dimethylphenoxy)ethoxy]benzenecarbothioamide
CID 20992906

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine (CID 14816037) is 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine is Cc1ccc(OC/C=N/N=C(\N)NO)c(C)c1.
What is the InChIKey of 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine?
The InChIKey is AQYZDVQPYNAASN-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-3-4-10(9(2)7-8)17-6-5-13-14-11(12)15-16/h3-5,7,16H,6H2,1-2H3,(H3,12,14,15)/b13-5+.
What are the key properties of 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine?
2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine has a molecular weight of 236.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-dimethylphenoxy)ethylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 14816037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).