N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

C17H18FN3 — CID 169382349

IUPACN-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESFc1cc(N2CCCC2)ccc1C=NNc1ccccc1
InChIInChI=1S/C17H18FN3/c18-17-12-16(21-10-4-5-11-21)9-8-14(17)13-19-20-15-6-2-1-3-7-15/h1-3,6-9,12-13,20H,4-5,10-11H2
InChIKeyDSWLHHCLKXKLEJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.87
Rot. Bonds4

About N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (PubChem CID 169382349) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
PubChem CID169382349
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC NameN-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESFc1cc(N2CCCC2)ccc1C=NNc1ccccc1
InChIInChI=1S/C17H18FN3/c18-17-12-16(21-10-4-5-11-21)9-8-14(17)13-19-20-15-6-2-1-3-7-15/h1-3,6-9,12-13,20H,4-5,10-11H2
InChIKeyDSWLHHCLKXKLEJ-UHFFFAOYSA-N
XLogP3.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576719
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
CID 169381828
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
1-(3-fluoro-4-phenylphenyl)piperidine
CID 126496888
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
tert-butyl 4-[3-chloro-4-[(phenylhydrazinylidene)methyl]phenyl]piperazine-1-carboxylate
CID 169382917
N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841699

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (CID 169382349) is N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is Fc1cc(N2CCCC2)ccc1C=NNc1ccccc1.
What is the InChIKey of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The InChIKey is DSWLHHCLKXKLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c18-17-12-16(21-10-4-5-11-21)9-8-14(17)13-19-20-15-6-2-1-3-7-15/h1-3,6-9,12-13,20H,4-5,10-11H2.
What are the key properties of N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline has a molecular weight of 283.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 169382349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).