N-(2,4-dibromophenyl)pyrrolidin-3-amine

C10H12Br2N2 — CID 79725192

IUPACN-(2,4-dibromophenyl)pyrrolidin-3-amine
SMILESBrc1ccc(NC2CCNC2)c(Br)c1
InChIInChI=1S/C10H12Br2N2/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyLBLDMFDWZQDJGZ-UHFFFAOYSA-N
MW320.03 g/mol
LogP2.99
Rot. Bonds2

About N-(2,4-dibromophenyl)pyrrolidin-3-amine

N-(2,4-dibromophenyl)pyrrolidin-3-amine (PubChem CID 79725192) has the molecular formula C10H12Br2N2 and a molecular weight of 320.03 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)pyrrolidin-3-amine
PubChem CID79725192
Molecular FormulaC10H12Br2N2
Molecular Weight320.03 g/mol
Exact Mass317.94
IUPAC NameN-(2,4-dibromophenyl)pyrrolidin-3-amine
SMILESBrc1ccc(NC2CCNC2)c(Br)c1
InChIInChI=1S/C10H12Br2N2/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyLBLDMFDWZQDJGZ-UHFFFAOYSA-N
XLogP2.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)pyrrolidin-3-amine
CID 66545624
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
CID 43683065
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine
CID 115052418
N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 79724113
N-(2,4-dibromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43683153
N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 114042706
N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
N-(2-bromo-4-methylphenyl)azepan-4-amine
CID 103980363

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2,4-dibromophenyl)pyrrolidin-3-amine (CID 79725192) is N-(2,4-dibromophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2,4-dibromophenyl)pyrrolidin-3-amine is Brc1ccc(NC2CCNC2)c(Br)c1.
What is the InChIKey of N-(2,4-dibromophenyl)pyrrolidin-3-amine?
The InChIKey is LBLDMFDWZQDJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2.
What are the key properties of N-(2,4-dibromophenyl)pyrrolidin-3-amine?
N-(2,4-dibromophenyl)pyrrolidin-3-amine has a molecular weight of 320.03 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79725192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).