4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine

C13H13FN2 — CID 140659152

IUPAC4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine
SMILESNC1=CC/C(=N\Cc2ccc(F)cc2)C=C1
InChIInChI=1S/C13H13FN2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-7H,8-9,15H2/b16-13-
InChIKeyPIFOTDHXGGJLCG-SSZFMOIBSA-N
MW216.26 g/mol
LogP2.57
Rot. Bonds2

About 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine

4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine (PubChem CID 140659152) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine
PubChem CID140659152
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine
SMILESNC1=CC/C(=N\Cc2ccc(F)cc2)C=C1
InChIInChI=1S/C13H13FN2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-7H,8-9,15H2/b16-13-
InChIKeyPIFOTDHXGGJLCG-SSZFMOIBSA-N
XLogP2.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Fluoro-benzyl)-1H-pyridin-4-ylideneamine
CID 16682222
(E)-N'-benzyl-3-(4-fluorophenyl)prop-2-enimidamide
CID 9921317
1-(4-Fluoro-benzyl)-1H-pyridin-4-ylideneamine
CID 16682137
5-Phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
CID 155555529
N-benzyl-1-(4-fluorophenyl)ethanimine
CID 86149422
(Z)-N-benzyl-7-(tert-butylimino)cyclohepta-1,3,5-trienamine
CID 767431
N-benzyl-1-(4-fluorophenyl)-4-isocyanobutan-1-imine
CID 135072245
N-benzyl-2-fluorocyclohexan-1-imine
CID 135086496
4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
CID 239748
2,4-Diamino-2-phenylindole
CID 18625247
6-Phenyl-3,4-dihydropyridine
CID 22751216
4,6-Bis (imino)-2-phenylindole
CID 172713172

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine (CID 140659152) is 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine is NC1=CC/C(=N\Cc2ccc(F)cc2)C=C1.
What is the InChIKey of 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
The InChIKey is PIFOTDHXGGJLCG-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H13FN2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-7H,8-9,15H2/b16-13-.
What are the key properties of 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine has a molecular weight of 216.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 140659152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).