N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline

C14H13FN2 — CID 169381612

IUPACN-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
SMILESCc1ccc(F)c(C=NNc2ccccc2)c1
InChIInChI=1S/C14H13FN2/c1-11-7-8-14(15)12(9-11)10-16-17-13-5-3-2-4-6-13/h2-10,17H,1H3
InChIKeySQJYHMCRPSXXNE-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.58
Rot. Bonds3

About N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline

N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline (PubChem CID 169381612) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
PubChem CID169381612
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
SMILESCc1ccc(F)c(C=NNc2ccccc2)c1
InChIInChI=1S/C14H13FN2/c1-11-7-8-14(15)12(9-11)10-16-17-13-5-3-2-4-6-13/h2-10,17H,1H3
InChIKeySQJYHMCRPSXXNE-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.58
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-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060487
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
CID 9461390
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
CID 169381828
N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
CID 11301243
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline (CID 169381612) is N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline is Cc1ccc(F)c(C=NNc2ccccc2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline?
The InChIKey is SQJYHMCRPSXXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c1-11-7-8-14(15)12(9-11)10-16-17-13-5-3-2-4-6-13/h2-10,17H,1H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline?
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline has a molecular weight of 228.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).