N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine

C12H14BrNO2 — CID 115894694

IUPACN-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine
SMILESCC(NC(C)c1occc1Br)c1ccoc1
InChIInChI=1S/C12H14BrNO2/c1-8(10-3-5-15-7-10)14-9(2)12-11(13)4-6-16-12/h3-9,14H,1-2H3
InChIKeyCGCIFSJTSNWVSK-UHFFFAOYSA-N
MW284.15 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine

N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine (PubChem CID 115894694) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine
PubChem CID115894694
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine
SMILESCC(NC(C)c1occc1Br)c1ccoc1
InChIInChI=1S/C12H14BrNO2/c1-8(10-3-5-15-7-10)14-9(2)12-11(13)4-6-16-12/h3-9,14H,1-2H3
InChIKeyCGCIFSJTSNWVSK-UHFFFAOYSA-N
XLogP4.05
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine (CID 115894694) is N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine is CC(NC(C)c1occc1Br)c1ccoc1.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine?
The InChIKey is CGCIFSJTSNWVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8(10-3-5-15-7-10)14-9(2)12-11(13)4-6-16-12/h3-9,14H,1-2H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine?
N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine has a molecular weight of 284.15 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 115894694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).