1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine

C17H21BrN2O — CID 104652483

IUPAC1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(Cc2ccccc2)C1)c1ccc(Br)o1
InChIInChI=1S/C17H21BrN2O/c1-13(16-7-8-17(18)21-16)19-15-9-10-20(12-15)11-14-5-3-2-4-6-14/h2-8,13,15,19H,9-12H2,1H3
InChIKeyIDRUIANPNKVASR-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.97
Rot. Bonds5

About 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine

1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine (PubChem CID 104652483) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine
PubChem CID104652483
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(Cc2ccccc2)C1)c1ccc(Br)o1
InChIInChI=1S/C17H21BrN2O/c1-13(16-7-8-17(18)21-16)19-15-9-10-20(12-15)11-14-5-3-2-4-6-14/h2-8,13,15,19H,9-12H2,1H3
InChIKeyIDRUIANPNKVASR-UHFFFAOYSA-N
XLogP3.97
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine (CID 104652483) is 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine is CC(NC1CCN(Cc2ccccc2)C1)c1ccc(Br)o1.
What is the InChIKey of 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is IDRUIANPNKVASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-13(16-7-8-17(18)21-16)19-15-9-10-20(12-15)11-14-5-3-2-4-6-14/h2-8,13,15,19H,9-12H2,1H3.
What are the key properties of 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine?
1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 349.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 104652483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).