N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine

C19H20BrFN2 — CID 4535526

IUPACN-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1cc(/N=C/c2cc(F)c(N3CCCC3)cc2C)ccc1Br
InChIInChI=1S/C19H20BrFN2/c1-13-10-19(23-7-3-4-8-23)18(21)11-15(13)12-22-16-5-6-17(20)14(2)9-16/h5-6,9-12H,3-4,7-8H2,1-2H3/b22-12+
InChIKeyGYTLVEHQPQIAJU-WSDLNYQXSA-N
MW375.29 g/mol
LogP5.56
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine

N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 4535526) has the molecular formula C19H20BrFN2 and a molecular weight of 375.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID4535526
Molecular FormulaC19H20BrFN2
Molecular Weight375.29 g/mol
Exact Mass374.08
IUPAC NameN-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1cc(/N=C/c2cc(F)c(N3CCCC3)cc2C)ccc1Br
InChIInChI=1S/C19H20BrFN2/c1-13-10-19(23-7-3-4-8-23)18(21)11-15(13)12-22-16-5-6-17(20)14(2)9-16/h5-6,9-12H,3-4,7-8H2,1-2H3/b22-12+
InChIKeyGYTLVEHQPQIAJU-WSDLNYQXSA-N
XLogP5.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.29
LogP ≤ 55.56
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-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine (CID 4535526) is N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine is Cc1cc(/N=C/c2cc(F)c(N3CCCC3)cc2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is GYTLVEHQPQIAJU-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20BrFN2/c1-13-10-19(23-7-3-4-8-23)18(21)11-15(13)12-22-16-5-6-17(20)14(2)9-16/h5-6,9-12H,3-4,7-8H2,1-2H3/b22-12+.
What are the key properties of N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 375.29 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 4535526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).