N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

C13H19BrN2O — CID 66360262

IUPACN'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C13H19BrN2O/c1-15-5-6-16(2)9-12-8-10-7-11(14)3-4-13(10)17-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyARHFTVGRGFQUDZ-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.90
Rot. Bonds5

About N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 66360262) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID66360262
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C13H19BrN2O/c1-15-5-6-16(2)9-12-8-10-7-11(14)3-4-13(10)17-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyARHFTVGRGFQUDZ-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 66360262) is N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)CC1Cc2cc(Br)ccc2O1.
What is the InChIKey of N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is ARHFTVGRGFQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-15-5-6-16(2)9-12-8-10-7-11(14)3-4-13(10)17-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3.
What are the key properties of N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 299.21 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 66360262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).