N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine

C11H13BrClFN2 — CID 107610096

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2c(Cl)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrClFN2/c1-16-3-2-8(6-16)15-11-9(12)4-7(14)5-10(11)13/h4-5,8,15H,2-3,6H2,1H3
InChIKeyZQUJPGFPLSPQGO-UHFFFAOYSA-N
MW307.59 g/mol
LogP3.36
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 107610096) has the molecular formula C11H13BrClFN2 and a molecular weight of 307.59 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine
PubChem CID107610096
Molecular FormulaC11H13BrClFN2
Molecular Weight307.59 g/mol
Exact Mass305.99
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2c(Cl)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrClFN2/c1-16-3-2-8(6-16)15-11-9(12)4-7(14)5-10(11)13/h4-5,8,15H,2-3,6H2,1H3
InChIKeyZQUJPGFPLSPQGO-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine (CID 107610096) is N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine is CN1CCC(Nc2c(Cl)cc(F)cc2Br)C1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is ZQUJPGFPLSPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClFN2/c1-16-3-2-8(6-16)15-11-9(12)4-7(14)5-10(11)13/h4-5,8,15H,2-3,6H2,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 307.59 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 107610096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).