2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol

C20H16Br2N2O2 — CID 171981143

IUPAC2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol
SMILESCOc1cc(Br)c(Br)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1O
InChIInChI=1S/C20H16Br2N2O2/c1-26-18-11-17(21)19(22)16(20(18)25)12-23-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12,24-25H,1H3/b23-12+
InChIKeyRXPPBVSPNCHXBU-FSJBWODESA-N
MW476.17 g/mol
LogP6.42
Rot. Bonds5

About 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol

2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol (PubChem CID 171981143) has the molecular formula C20H16Br2N2O2 and a molecular weight of 476.17 g/mol. Its IUPAC name is 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol.

Molecular Properties

Compound Name2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol
PubChem CID171981143
Molecular FormulaC20H16Br2N2O2
Molecular Weight476.17 g/mol
Exact Mass473.96
IUPAC Name2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol
SMILESCOc1cc(Br)c(Br)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1O
InChIInChI=1S/C20H16Br2N2O2/c1-26-18-11-17(21)19(22)16(20(18)25)12-23-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12,24-25H,1H3/b23-12+
InChIKeyRXPPBVSPNCHXBU-FSJBWODESA-N
XLogP6.42
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.17
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-4-iodobenzamide
CID 3342367
2-bromo-N-[3-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]benzamide
CID 3717476
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 135578539
methyl N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 136747503
methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 4598161
5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4600415
3,4-dibromo-6-methoxy-2-[(2-pyrrolidin-1-ylphenyl)iminomethyl]phenol
CID 1278264
3,4-dibromo-2-[(5-iodo-2-pyridinyl)iminomethyl]-6-methoxyphenol
CID 3419440
3,4-dibromo-2-[(2-hydroxy-3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 1379409
3,4-dibromo-2-[(4-tert-butyl-2-hydroxyphenyl)iminomethyl]-6-methoxyphenol
CID 3984239
3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 3662486
N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 136793261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol?
The IUPAC name of 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol (CID 171981143) is 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol.
What is the SMILES notation for 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol?
The canonical SMILES for 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol is COc1cc(Br)c(Br)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1O.
What is the InChIKey of 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol?
The InChIKey is RXPPBVSPNCHXBU-FSJBWODESA-N. The full InChI is InChI=1S/C20H16Br2N2O2/c1-26-18-11-17(21)19(22)16(20(18)25)12-23-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12,24-25H,1H3/b23-12+.
What are the key properties of 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol?
2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol has a molecular weight of 476.17 g/mol, XLogP of 6.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol is sourced from PubChem (CID 171981143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).