N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline

C15H15FN2 — CID 110504963

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
SMILESCc1ccc(N/N=C/c2ccccc2F)cc1C
InChIInChI=1S/C15H15FN2/c1-11-7-8-14(9-12(11)2)18-17-10-13-5-3-4-6-15(13)16/h3-10,18H,1-2H3/b17-10+
InChIKeyPRSCHIWFHSOUFS-LICLKQGHSA-N
MW242.30 g/mol
LogP3.89
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline

N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline (PubChem CID 110504963) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
PubChem CID110504963
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
SMILESCc1ccc(N/N=C/c2ccccc2F)cc1C
InChIInChI=1S/C15H15FN2/c1-11-7-8-14(9-12(11)2)18-17-10-13-5-3-4-6-15(13)16/h3-10,18H,1-2H3/b17-10+
InChIKeyPRSCHIWFHSOUFS-LICLKQGHSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.89
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

3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 3669810
3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110841094
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
CID 9461390
2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 4113252
2,3,5,6-tetrafluoro-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline
CID 6013048
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504942
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060487

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline (CID 110504963) is N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline is Cc1ccc(N/N=C/c2ccccc2F)cc1C.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline?
The InChIKey is PRSCHIWFHSOUFS-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15FN2/c1-11-7-8-14(9-12(11)2)18-17-10-13-5-3-4-6-15(13)16/h3-10,18H,1-2H3/b17-10+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline?
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline has a molecular weight of 242.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline is sourced from PubChem (CID 110504963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).