N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline

C22H28BrN3O — CID 10622521

IUPACN-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline
SMILESCO/N=C/CCCC(Br)CCC/C=N/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28BrN3O/c1-27-25-19-11-9-13-20(23)12-8-10-18-24-26(21-14-4-2-5-15-21)22-16-6-3-7-17-22/h2-7,14-20H,8-13H2,1H3/b24-18+,25-19+
InChIKeyRNNOXDQLCKAZHC-SIHVKLMXSA-N
MW430.39 g/mol
LogP6.55
Rot. Bonds12

About N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline

N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline (PubChem CID 10622521) has the molecular formula C22H28BrN3O and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline
PubChem CID10622521
Molecular FormulaC22H28BrN3O
Molecular Weight430.39 g/mol
Exact Mass429.14
IUPAC NameN-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline
SMILESCO/N=C/CCCC(Br)CCC/C=N/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28BrN3O/c1-27-25-19-11-9-13-20(23)12-8-10-18-24-26(21-14-4-2-5-15-21)22-16-6-3-7-17-22/h2-7,14-20H,8-13H2,1H3/b24-18+,25-19+
InChIKeyRNNOXDQLCKAZHC-SIHVKLMXSA-N
XLogP6.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z,4S)-4-[dimethyl(phenyl)silyl]-N-methoxyhex-5-en-1-imine
CID 102391934
N-(4-bromohexyl)-N-methylaniline
CID 56992251
6-bromododec-1-enylbenzene
CID 158445223
(2-bromo-2-phenylethyl) (2E)-2-(diphenylhydrazinylidene)acetate
CID 10740944
N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide
CID 10629560
N-[(Z)-2,2-diphenylethylideneamino]-N-phenylaniline
CID 6306927
N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide
CID 15468085
(4-bromo-5-methoxypentoxy)benzene
CID 62320030
N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
CID 22828689
1-[(4E)-4-methoxyiminobutyl]triazol-4-amine
CID 162529995
[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol
CID 58612806
N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline
CID 10768454

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline?
The IUPAC name of N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline (CID 10622521) is N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline.
What is the SMILES notation for N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline?
The canonical SMILES for N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline is CO/N=C/CCCC(Br)CCC/C=N/N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline?
The InChIKey is RNNOXDQLCKAZHC-SIHVKLMXSA-N. The full InChI is InChI=1S/C22H28BrN3O/c1-27-25-19-11-9-13-20(23)12-8-10-18-24-26(21-14-4-2-5-15-21)22-16-6-3-7-17-22/h2-7,14-20H,8-13H2,1H3/b24-18+,25-19+.
What are the key properties of N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline?
N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline has a molecular weight of 430.39 g/mol, XLogP of 6.55, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline is sourced from PubChem (CID 10622521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).