3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline

C13H15BrN2O — CID 105150495

IUPAC3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2occc2Br)c1
InChIInChI=1S/C13H15BrN2O/c1-16(2)10-5-3-4-9(8-10)12(15)13-11(14)6-7-17-13/h3-8,12H,15H2,1-2H3
InChIKeyKOPIQMJZDINPII-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.16
Rot. Bonds3

About 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline

3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline (PubChem CID 105150495) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline
PubChem CID105150495
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2occc2Br)c1
InChIInChI=1S/C13H15BrN2O/c1-16(2)10-5-3-4-9(8-10)12(15)13-11(14)6-7-17-13/h3-8,12H,15H2,1-2H3
InChIKeyKOPIQMJZDINPII-UHFFFAOYSA-N
XLogP3.16
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline (CID 105150495) is 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)c2occc2Br)c1.
What is the InChIKey of 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline?
The InChIKey is KOPIQMJZDINPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-16(2)10-5-3-4-9(8-10)12(15)13-11(14)6-7-17-13/h3-8,12H,15H2,1-2H3.
What are the key properties of 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline?
3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline has a molecular weight of 295.18 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105150495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).