N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine

C14H13FN2 — CID 59855251

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
SMILESFc1ccc(/C=N/NCc2ccccc2)cc1
InChIInChI=1S/C14H13FN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2/b17-11+
InChIKeyDSQWCDPMNIQXDW-GZTJUZNOSA-N
MW228.27 g/mol
LogP2.95
Rot. Bonds4

About N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine

N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine (PubChem CID 59855251) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
PubChem CID59855251
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine
SMILESFc1ccc(/C=N/NCc2ccccc2)cc1
InChIInChI=1S/C14H13FN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2/b17-11+
InChIKeyDSQWCDPMNIQXDW-GZTJUZNOSA-N
XLogP2.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,4-Dihydro-3,6-diphenyl-1,2,4,5-tetrazine
CID 26707
N-(4-Fluoro-benzylidene)-N'-(3-fluoro-phenyl)-hydrazine
CID 5941964
3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 3683844
2-(3-Fluorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 4395503
N'-amino-N-(benzylideneamino)benzenecarboximidamide
CID 270767
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
1,2-Dihydrophthalazine
CID 9877373
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924
2-Fluoro-N-((2-fluorophenyl)methylene)benzenemethanamine
CID 67464029
Guanidine, 1-benzyl-3-(benzylideneamino)-
CID 9570131
(e)-1-(4-Fluorobenzylidene)-2-phenylhydrazine
CID 9608763
Benzenemethanamine, N-[(4-fluorophenyl)methylene]-
CID 10910873

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine (CID 59855251) is N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine is Fc1ccc(/C=N/NCc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
The InChIKey is DSQWCDPMNIQXDW-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H13FN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2/b17-11+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine?
N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine has a molecular weight of 228.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 59855251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).