3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline

C20H17BrN2O — CID 19655678

IUPAC3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
SMILESBrc1cccc(N/N=C/c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H17BrN2O/c21-18-10-6-11-19(13-18)23-22-14-17-9-4-5-12-20(17)24-15-16-7-2-1-3-8-16/h1-14,23H,15H2/b22-14+
InChIKeyBDOHLYNJCWXDBZ-HYARGMPZSA-N
MW381.27 g/mol
LogP5.47
Rot. Bonds6

About 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline

3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline (PubChem CID 19655678) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
PubChem CID19655678
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
SMILESBrc1cccc(N/N=C/c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H17BrN2O/c21-18-10-6-11-19(13-18)23-22-14-17-9-4-5-12-20(17)24-15-16-7-2-1-3-8-16/h1-14,23H,15H2/b22-14+
InChIKeyBDOHLYNJCWXDBZ-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'}

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Related Compounds

N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
[2-[(3-bromophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530074
N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
CID 169382893
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline (CID 19655678) is 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline is Brc1cccc(N/N=C/c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
The InChIKey is BDOHLYNJCWXDBZ-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-18-10-6-11-19(13-18)23-22-14-17-9-4-5-12-20(17)24-15-16-7-2-1-3-8-16/h1-14,23H,15H2/b22-14+.
What are the key properties of 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline?
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)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 3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 19655678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).