1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine

C15H21BrN2 — CID 58579026

IUPAC1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2CCc3cc(Br)ccc32)C1
InChIInChI=1S/C15H21BrN2/c1-17(2)13-7-8-18(10-13)15-6-3-11-9-12(16)4-5-14(11)15/h4-5,9,13,15H,3,6-8,10H2,1-2H3
InChIKeyUXDLMQNKPPJBCV-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.07
Rot. Bonds2

About 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine

1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 58579026) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID58579026
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2CCc3cc(Br)ccc32)C1
InChIInChI=1S/C15H21BrN2/c1-17(2)13-7-8-18(10-13)15-6-3-11-9-12(16)4-5-14(11)15/h4-5,9,13,15H,3,6-8,10H2,1-2H3
InChIKeyUXDLMQNKPPJBCV-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine (CID 58579026) is 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C2CCc3cc(Br)ccc32)C1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is UXDLMQNKPPJBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-17(2)13-7-8-18(10-13)15-6-3-11-9-12(16)4-5-14(11)15/h4-5,9,13,15H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 309.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 58579026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).