N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine

C12H15BrF2N2 — CID 102852892

IUPACN-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(Br)c(F)cc2F)CN1C
InChIInChI=1S/C12H15BrF2N2/c1-7-3-8(6-17(7)2)16-12-4-9(13)10(14)5-11(12)15/h4-5,7-8,16H,3,6H2,1-2H3
InChIKeyANCNKOQNSYPGBC-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.23
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine

N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 102852892) has the molecular formula C12H15BrF2N2 and a molecular weight of 305.17 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID102852892
Molecular FormulaC12H15BrF2N2
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(Br)c(F)cc2F)CN1C
InChIInChI=1S/C12H15BrF2N2/c1-7-3-8(6-17(7)2)16-12-4-9(13)10(14)5-11(12)15/h4-5,7-8,16H,3,6H2,1-2H3
InChIKeyANCNKOQNSYPGBC-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine (CID 102852892) is N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2cc(Br)c(F)cc2F)CN1C.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is ANCNKOQNSYPGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2/c1-7-3-8(6-17(7)2)16-12-4-9(13)10(14)5-11(12)15/h4-5,7-8,16H,3,6H2,1-2H3.
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 305.17 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 102852892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).