1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine

C14H19BrN2O — CID 115300607

IUPAC1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CC2Cc3cc(Br)ccc3O2)C1
InChIInChI=1S/C14H19BrN2O/c1-16-12-4-5-17(8-12)9-13-7-10-6-11(15)2-3-14(10)18-13/h2-3,6,12-13,16H,4-5,7-9H2,1H3
InChIKeyXXDPATLEDNHQHI-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.05
Rot. Bonds3

About 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 115300607) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID115300607
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CC2Cc3cc(Br)ccc3O2)C1
InChIInChI=1S/C14H19BrN2O/c1-16-12-4-5-17(8-12)9-13-7-10-6-11(15)2-3-14(10)18-13/h2-3,6,12-13,16H,4-5,7-9H2,1H3
InChIKeyXXDPATLEDNHQHI-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672365
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316871
1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine-3-carboxylic acid
CID 66360634
1-(azetidin-3-yl)-4-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 66359879
1-[4-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone
CID 135128482
(4aS,7aS)-6-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682957
3-chloro-4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
CID 102960251
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine
CID 81459003
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66362056
1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785203
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 66391230

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine (CID 115300607) is 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(CC2Cc3cc(Br)ccc3O2)C1.
What is the InChIKey of 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is XXDPATLEDNHQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-16-12-4-5-17(8-12)9-13-7-10-6-11(15)2-3-14(10)18-13/h2-3,6,12-13,16H,4-5,7-9H2,1H3.
What are the key properties of 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 311.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).