N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline

C20H17BrN2O — CID 110338538

IUPACN-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESBrc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C20H17BrN2O/c21-18-12-10-16(11-13-18)15-24-20-9-5-4-6-17(20)14-22-23-19-7-2-1-3-8-19/h1-14,23H,15H2/b22-14+
InChIKeyCAADIVVIVJEMMW-HYARGMPZSA-N
MW381.27 g/mol
LogP5.47
Rot. Bonds6

About N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline

N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110338538) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110338538
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC NameN-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESBrc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C20H17BrN2O/c21-18-12-10-16(11-13-18)15-24-20-9-5-4-6-17(20)14-22-23-19-7-2-1-3-8-19/h1-14,23H,15H2/b22-14+
InChIKeyCAADIVVIVJEMMW-HYARGMPZSA-N
XLogP5.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline 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

N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060
2-[2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 3698139
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 3555583
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
CID 169382893
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618103
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline (CID 110338538) is N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline is Brc1ccc(COc2ccccc2/C=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is CAADIVVIVJEMMW-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-18-12-10-16(11-13-18)15-24-20-9-5-4-6-17(20)14-22-23-19-7-2-1-3-8-19/h1-14,23H,15H2/b22-14+.
What are the key properties of N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 381.27 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110338538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).