N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

C20H16BrFN2O — CID 169383060

IUPACN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccc(COc2ccc(Br)cc2C=NNc2ccccc2)cc1
InChIInChI=1S/C20H16BrFN2O/c21-17-8-11-20(25-14-15-6-9-18(22)10-7-15)16(12-17)13-23-24-19-4-2-1-3-5-19/h1-13,24H,14H2
InChIKeyNFOYABDVHFGFHR-UHFFFAOYSA-N
MW399.26 g/mol
LogP5.61
Rot. Bonds6

About N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169383060) has the molecular formula C20H16BrFN2O and a molecular weight of 399.26 g/mol. Its IUPAC name is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169383060
Molecular FormulaC20H16BrFN2O
Molecular Weight399.26 g/mol
Exact Mass398.04
IUPAC NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccc(COc2ccc(Br)cc2C=NNc2ccccc2)cc1
InChIInChI=1S/C20H16BrFN2O/c21-17-8-11-20(25-14-15-6-9-18(22)10-7-15)16(12-17)13-23-24-19-4-2-1-3-5-19/h1-13,24H,14H2
InChIKeyNFOYABDVHFGFHR-UHFFFAOYSA-N
XLogP5.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.26
LogP ≤ 55.61
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

2-N-[(E)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 50870627
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
(NZ)-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5407965
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
2-[4-bromo-2-[(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 169382164
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline
CID 169382106
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5415702
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382696

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 169383060) is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is Fc1ccc(COc2ccc(Br)cc2C=NNc2ccccc2)cc1.
What is the InChIKey of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is NFOYABDVHFGFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O/c21-17-8-11-20(25-14-15-6-9-18(22)10-7-15)16(12-17)13-23-24-19-4-2-1-3-5-19/h1-13,24H,14H2.
What are the key properties of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 399.26 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).