N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine

C11H11BrF2N2 — CID 129102657

IUPACN-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C11H11BrF2N2/c1-6-2-3-10(15-6)16-11-8(13)4-7(12)5-9(11)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyNTQTVPRGWTYHQJ-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.72
Rot. Bonds1

About N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine

N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 129102657) has the molecular formula C11H11BrF2N2 and a molecular weight of 289.12 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID129102657
Molecular FormulaC11H11BrF2N2
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C11H11BrF2N2/c1-6-2-3-10(15-6)16-11-8(13)4-7(12)5-9(11)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyNTQTVPRGWTYHQJ-UHFFFAOYSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine (CID 129102657) is N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine is CC1CCC(Nc2c(F)cc(Br)cc2F)=N1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is NTQTVPRGWTYHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2/c1-6-2-3-10(15-6)16-11-8(13)4-7(12)5-9(11)14/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 289.12 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 129102657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).