(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine

C12H16Br2N2O2 — CID 168530765

IUPAC(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCCOc1cc(C=NN)c(Br)c(Br)c1OC(C)C
InChIInChI=1S/C12H16Br2N2O2/c1-4-17-9-5-8(6-16-15)10(13)11(14)12(9)18-7(2)3/h5-7H,4,15H2,1-3H3
InChIKeyWSZCHTHOVIYRTN-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.69
Rot. Bonds5

About (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine

(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine (PubChem CID 168530765) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
PubChem CID168530765
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC Name(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCCOc1cc(C=NN)c(Br)c(Br)c1OC(C)C
InChIInChI=1S/C12H16Br2N2O2/c1-4-17-9-5-8(6-16-15)10(13)11(14)12(9)18-7(2)3/h5-7H,4,15H2,1-3H3
InChIKeyWSZCHTHOVIYRTN-UHFFFAOYSA-N
XLogP3.69
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-[(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126305368
N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360359
(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529586
ethyl (2S)-2-[2,3-dibromo-4-[[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]-6-ethoxyphenoxy]propanoate
CID 126408154
[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylideneamino]urea
CID 168533287
N-[(2,3-dibromo-4,5-diethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618822
ethyl (2S)-2-[2,3-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-ethoxyphenoxy]propanoate
CID 126290864
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748
2-N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627558
2-(5-bromo-1-benzofuran-2-yl)-3-[(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126283284
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530261
(2R)-2-[2,3-dibromo-4-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]-6-ethoxyphenoxy]propanoic acid
CID 126291434

Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
The IUPAC name of (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine (CID 168530765) is (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine.
What is the SMILES notation for (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
The canonical SMILES for (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine is CCOc1cc(C=NN)c(Br)c(Br)c1OC(C)C.
What is the InChIKey of (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
The InChIKey is WSZCHTHOVIYRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-4-17-9-5-8(6-16-15)10(13)11(14)12(9)18-7(2)3/h5-7H,4,15H2,1-3H3.
What are the key properties of (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine has a molecular weight of 380.08 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168530765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).