1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine

C13H21BrN2O — CID 106889418

IUPAC1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)C)C1c1occc1Br
InChIInChI=1S/C13H21BrN2O/c1-9(2)16-6-4-10(8-15-3)12(16)13-11(14)5-7-17-13/h5,7,9-10,12,15H,4,6,8H2,1-3H3
InChIKeyQARIIPWJLZWBEL-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.03
Rot. Bonds4

About 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine

1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106889418) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106889418
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)C)C1c1occc1Br
InChIInChI=1S/C13H21BrN2O/c1-9(2)16-6-4-10(8-15-3)12(16)13-11(14)5-7-17-13/h5,7,9-10,12,15H,4,6,8H2,1-3H3
InChIKeyQARIIPWJLZWBEL-UHFFFAOYSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
1-[2-(4-bromo-2-nitrophenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 114385771
1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106889429
1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine
CID 106889425
N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
CID 106889430
1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818691
2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
CID 106889460
N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 114554487
2-methoxy-5-[3-(methylaminomethyl)-1-propan-2-ylpyrrolidin-2-yl]benzonitrile
CID 65336360
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
CID 81022007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine (CID 106889418) is 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(C(C)C)C1c1occc1Br.
What is the InChIKey of 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is QARIIPWJLZWBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-9(2)16-6-4-10(8-15-3)12(16)13-11(14)5-7-17-13/h5,7,9-10,12,15H,4,6,8H2,1-3H3.
What are the key properties of 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 301.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106889418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).