N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline

C15H15BrN2O2 — CID 110504916

IUPACN-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N/Nc2ccccc2)c(Br)c1OC
InChIInChI=1S/C15H15BrN2O2/c1-19-13-9-8-11(14(16)15(13)20-2)10-17-18-12-6-4-3-5-7-12/h3-10,18H,1-2H3/b17-10+
InChIKeyKASFABDTUICZBQ-LICLKQGHSA-N
MW335.20 g/mol
LogP3.91
Rot. Bonds5

About N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline

N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline (PubChem CID 110504916) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
PubChem CID110504916
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N/Nc2ccccc2)c(Br)c1OC
InChIInChI=1S/C15H15BrN2O2/c1-19-13-9-8-11(14(16)15(13)20-2)10-17-18-12-6-4-3-5-7-12/h3-10,18H,1-2H3/b17-10+
InChIKeyKASFABDTUICZBQ-LICLKQGHSA-N
XLogP3.91
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.91
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-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748
N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
CID 169384145
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 110509184

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline (CID 110504916) is N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline is COc1ccc(/C=N/Nc2ccccc2)c(Br)c1OC.
What is the InChIKey of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline?
The InChIKey is KASFABDTUICZBQ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-19-13-9-8-11(14(16)15(13)20-2)10-17-18-12-6-4-3-5-7-12/h3-10,18H,1-2H3/b17-10+.
What are the key properties of N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline?
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline has a molecular weight of 335.20 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110504916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).