N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline

C14H12F2N2 — CID 169381777

IUPACN-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
SMILESCc1c(F)ccc(C=NNc2ccccc2)c1F
InChIInChI=1S/C14H12F2N2/c1-10-13(15)8-7-11(14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyJGXLJBCKRGGMLH-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.72
Rot. Bonds3

About N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline

N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline (PubChem CID 169381777) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
PubChem CID169381777
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC NameN-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
SMILESCc1c(F)ccc(C=NNc2ccccc2)c1F
InChIInChI=1S/C14H12F2N2/c1-10-13(15)8-7-11(14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyJGXLJBCKRGGMLH-UHFFFAOYSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.72
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

N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
CID 169381828
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558
2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol
CID 169384110
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline
CID 169383711

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline (CID 169381777) is N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline is Cc1c(F)ccc(C=NNc2ccccc2)c1F.
What is the InChIKey of N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline?
The InChIKey is JGXLJBCKRGGMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2/c1-10-13(15)8-7-11(14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3.
What are the key properties of N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline?
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline has a molecular weight of 246.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).