N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine

C12H14BrClN2 — CID 3027191

IUPACN-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine
SMILESCCN1CCC/C1=N\c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2/c1-2-16-7-3-4-12(16)15-11-6-5-9(14)8-10(11)13/h5-6,8H,2-4,7H2,1H3/b15-12+
InChIKeyFGVNBNLSMHXJQB-NTCAYCPXSA-N
MW301.61 g/mol
LogP4.25
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine

N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine (PubChem CID 3027191) has the molecular formula C12H14BrClN2 and a molecular weight of 301.61 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine
PubChem CID3027191
Molecular FormulaC12H14BrClN2
Molecular Weight301.61 g/mol
Exact Mass300.00
IUPAC NameN-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine
SMILESCCN1CCC/C1=N\c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2/c1-2-16-7-3-4-12(16)15-11-6-5-9(14)8-10(11)13/h5-6,8H,2-4,7H2,1H3/b15-12+
InChIKeyFGVNBNLSMHXJQB-NTCAYCPXSA-N
XLogP4.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.61
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine (CID 3027191) is N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine is CCN1CCC/C1=N\c1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine?
The InChIKey is FGVNBNLSMHXJQB-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H14BrClN2/c1-2-16-7-3-4-12(16)15-11-6-5-9(14)8-10(11)13/h5-6,8H,2-4,7H2,1H3/b15-12+.
What are the key properties of N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine?
N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine has a molecular weight of 301.61 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine is sourced from PubChem (CID 3027191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).