N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine

C19H21FN2 — CID 126072584

IUPACN-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1C
InChIInChI=1S/C19H21FN2/c1-14-5-7-17(11-15(14)2)21-13-16-6-8-19(18(20)12-16)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3/b21-13+
InChIKeyMGANNVBZPJEKEX-FYJGNVAPSA-N
MW296.39 g/mol
LogP4.79
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine

N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 126072584) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID126072584
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC NameN-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1C
InChIInChI=1S/C19H21FN2/c1-14-5-7-17(11-15(14)2)21-13-16-6-8-19(18(20)12-16)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3/b21-13+
InChIKeyMGANNVBZPJEKEX-FYJGNVAPSA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine (CID 126072584) is N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine is Cc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is MGANNVBZPJEKEX-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21FN2/c1-14-5-7-17(11-15(14)2)21-13-16-6-8-19(18(20)12-16)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3/b21-13+.
What are the key properties of N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 296.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 126072584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).