N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline

C14H12BrFN2O — CID 169384109

IUPACN-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
SMILESCOc1c(C=NNc2ccccc2)ccc(Br)c1F
InChIInChI=1S/C14H12BrFN2O/c1-19-14-10(7-8-12(15)13(14)16)9-17-18-11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeySKQNXDPPAXVTPS-UHFFFAOYSA-N
MW323.17 g/mol
LogP4.04
Rot. Bonds4

About N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline

N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline (PubChem CID 169384109) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
PubChem CID169384109
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
SMILESCOc1c(C=NNc2ccccc2)ccc(Br)c1F
InChIInChI=1S/C14H12BrFN2O/c1-19-14-10(7-8-12(15)13(14)16)9-17-18-11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeySKQNXDPPAXVTPS-UHFFFAOYSA-N
XLogP4.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 54.04
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-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
2-[2-[(4-bromo-3-fluoro-2-methoxyphenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571732

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline (CID 169384109) is N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline is COc1c(C=NNc2ccccc2)ccc(Br)c1F.
What is the InChIKey of N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline?
The InChIKey is SKQNXDPPAXVTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-19-14-10(7-8-12(15)13(14)16)9-17-18-11-5-3-2-4-6-11/h2-9,18H,1H3.
What are the key properties of N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline?
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline has a molecular weight of 323.17 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169384109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).