N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline

C15H15FN2 — CID 169381828

IUPACN-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
SMILESCCc1ccc(C=NNc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN2/c1-2-12-8-9-13(15(16)10-12)11-17-18-14-6-4-3-5-7-14/h3-11,18H,2H2,1H3
InChIKeyVGHSCFYJZJHNRV-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.83
Rot. Bonds4

About N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline

N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline (PubChem CID 169381828) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
PubChem CID169381828
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC NameN-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
SMILESCCc1ccc(C=NNc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN2/c1-2-12-8-9-13(15(16)10-12)11-17-18-14-6-4-3-5-7-14/h3-11,18H,2H2,1H3
InChIKeyVGHSCFYJZJHNRV-UHFFFAOYSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.83
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-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617225
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline
CID 169382106
N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 169382349
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]aniline
CID 169381904
2-[3-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl]acetic acid
CID 169384024

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline (CID 169381828) is N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline is CCc1ccc(C=NNc2ccccc2)c(F)c1.
What is the InChIKey of N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline?
The InChIKey is VGHSCFYJZJHNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-2-12-8-9-13(15(16)10-12)11-17-18-14-6-4-3-5-7-14/h3-11,18H,2H2,1H3.
What are the key properties of N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline?
N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline has a molecular weight of 242.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 169381828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).