4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline

C23H20FN3O — CID 164573251

IUPAC4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline
SMILESCn1cc(/C=N/Nc2ccc(F)cc2)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C23H20FN3O/c1-27-15-18(14-25-26-20-12-10-19(24)11-13-20)23-21(27)8-5-9-22(23)28-16-17-6-3-2-4-7-17/h2-15,26H,16H2,1H3/b25-14+
InChIKeyOAUDTLAQLOXQCQ-AFUMVMLFSA-N
MW373.43 g/mol
LogP5.34
Rot. Bonds6

About 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline

4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline (PubChem CID 164573251) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline
PubChem CID164573251
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline
SMILESCn1cc(/C=N/Nc2ccc(F)cc2)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C23H20FN3O/c1-27-15-18(14-25-26-20-12-10-19(24)11-13-20)23-21(27)8-5-9-22(23)28-16-17-6-3-2-4-7-17/h2-15,26H,16H2,1H3/b25-14+
InChIKeyOAUDTLAQLOXQCQ-AFUMVMLFSA-N
XLogP5.34
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline
CID 174201538
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
2,3,4,5,6-pentafluoro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 5080899
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline (CID 164573251) is 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline is Cn1cc(/C=N/Nc2ccc(F)cc2)c2c(OCc3ccccc3)cccc21.
What is the InChIKey of 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline?
The InChIKey is OAUDTLAQLOXQCQ-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-27-15-18(14-25-26-20-12-10-19(24)11-13-20)23-21(27)8-5-9-22(23)28-16-17-6-3-2-4-7-17/h2-15,26H,16H2,1H3/b25-14+.
What are the key properties of 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline?
4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline has a molecular weight of 373.43 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-(1-methyl-4-phenylmethoxyindol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 164573251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).