N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline

C16H16Br2N2O2 — CID 5223748

IUPACN-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)c(Br)c(Br)c1OC
InChIInChI=1S/C16H16Br2N2O2/c1-3-22-13-9-11(14(17)15(18)16(13)21-2)10-19-20-12-7-5-4-6-8-12/h4-10,20H,3H2,1-2H3
InChIKeyGQURDTWLNNBHGE-UHFFFAOYSA-N
MW428.12 g/mol
LogP5.06
Rot. Bonds6

About N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline

N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline (PubChem CID 5223748) has the molecular formula C16H16Br2N2O2 and a molecular weight of 428.12 g/mol. Its IUPAC name is N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
PubChem CID5223748
Molecular FormulaC16H16Br2N2O2
Molecular Weight428.12 g/mol
Exact Mass425.96
IUPAC NameN-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)c(Br)c(Br)c1OC
InChIInChI=1S/C16H16Br2N2O2/c1-3-22-13-9-11(14(17)15(18)16(13)21-2)10-19-20-12-7-5-4-6-8-12/h4-10,20H,3H2,1-2H3
InChIKeyGQURDTWLNNBHGE-UHFFFAOYSA-N
XLogP5.06
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.12
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
2-N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627558
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
[2-bromo-6-ethoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383230
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383375
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360359

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline (CID 5223748) is N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline is CCOc1cc(C=NNc2ccccc2)c(Br)c(Br)c1OC.
What is the InChIKey of N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline?
The InChIKey is GQURDTWLNNBHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O2/c1-3-22-13-9-11(14(17)15(18)16(13)21-2)10-19-20-12-7-5-4-6-8-12/h4-10,20H,3H2,1-2H3.
What are the key properties of N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline?
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline has a molecular weight of 428.12 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 5223748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).