2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol

C10H16BrNO2 — CID 3831144

IUPAC2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-2-5-12(6-7-13)8-9-3-4-10(11)14-9/h3-4,13H,2,5-8H2,1H3
InChIKeyPDDFBHSRRQYHSG-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.25
Rot. Bonds6

About 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol

2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol (PubChem CID 3831144) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol
PubChem CID3831144
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-2-5-12(6-7-13)8-9-3-4-10(11)14-9/h3-4,13H,2,5-8H2,1H3
InChIKeyPDDFBHSRRQYHSG-UHFFFAOYSA-N
XLogP2.25
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol (CID 3831144) is 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol?
The InChIKey is PDDFBHSRRQYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-2-5-12(6-7-13)8-9-3-4-10(11)14-9/h3-4,13H,2,5-8H2,1H3.
What are the key properties of 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol?
2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol has a molecular weight of 262.15 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 3831144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).