N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline

C22H18FN3 — CID 169383155

IUPACN-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline
SMILESFc1ccccc1Cn1ccc2ccc(C=NNc3ccccc3)cc21
InChIInChI=1S/C22H18FN3/c23-21-9-5-4-6-19(21)16-26-13-12-18-11-10-17(14-22(18)26)15-24-25-20-7-2-1-3-8-20/h1-15,25H,16H2
InChIKeyDSFZNHVWPVXLLF-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.27
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline

N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline (PubChem CID 169383155) has the molecular formula C22H18FN3 and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline
PubChem CID169383155
Molecular FormulaC22H18FN3
Molecular Weight343.41 g/mol
Exact Mass343.15
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline
SMILESFc1ccccc1Cn1ccc2ccc(C=NNc3ccccc3)cc21
InChIInChI=1S/C22H18FN3/c23-21-9-5-4-6-19(21)16-26-13-12-18-11-10-17(14-22(18)26)15-24-25-20-7-2-1-3-8-20/h1-15,25H,16H2
InChIKeyDSFZNHVWPVXLLF-UHFFFAOYSA-N
XLogP5.27
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.27
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

1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
[2-fluoro-4-[(phenylhydrazinylidene)methyl]phenyl]methanol
CID 169384111
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
1-[(2-bromo-3-fluorophenyl)methyl]indole-6-carbaldehyde
CID 102911365
N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline
CID 169383159
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626932
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline
CID 169382048

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline (CID 169383155) is N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline is Fc1ccccc1Cn1ccc2ccc(C=NNc3ccccc3)cc21.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline?
The InChIKey is DSFZNHVWPVXLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3/c23-21-9-5-4-6-19(21)16-26-13-12-18-11-10-17(14-22(18)26)15-24-25-20-7-2-1-3-8-20/h1-15,25H,16H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline?
N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline has a molecular weight of 343.41 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline is sourced from PubChem (CID 169383155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).