N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline

C20H15F3N2O — CID 169382106

IUPACN-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline
SMILESFc1ccc(C=NNc2ccccc2)c(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F3N2O/c21-16-8-7-15(12-24-25-17-4-2-1-3-5-17)20(11-16)26-13-14-6-9-18(22)19(23)10-14/h1-12,25H,13H2
InChIKeyKKERCNJJNYVNHQ-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.13
Rot. Bonds6

About N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline

N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline (PubChem CID 169382106) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline
PubChem CID169382106
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline
SMILESFc1ccc(C=NNc2ccccc2)c(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F3N2O/c21-16-8-7-15(12-24-25-17-4-2-1-3-5-17)20(11-16)26-13-14-6-9-18(22)19(23)10-14/h1-12,25H,13H2
InChIKeyKKERCNJJNYVNHQ-UHFFFAOYSA-N
XLogP5.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.13
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-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382696
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
CID 169381828
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
CID 168532167
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline (CID 169382106) is N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline is Fc1ccc(C=NNc2ccccc2)c(OCc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline?
The InChIKey is KKERCNJJNYVNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-16-8-7-15(12-24-25-17-4-2-1-3-5-17)20(11-16)26-13-14-6-9-18(22)19(23)10-14/h1-12,25H,13H2.
What are the key properties of N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline?
N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline has a molecular weight of 356.35 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline is sourced from PubChem (CID 169382106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).