(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine

C9H12BrNO2 — CID 65330811

IUPAC(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine
SMILESNC(c1occc1Br)C1CCCO1
InChIInChI=1S/C9H12BrNO2/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h3,5,7-8H,1-2,4,11H2
InChIKeyGETDGXKUWWXOMO-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.22
Rot. Bonds2

About (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine

(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine (PubChem CID 65330811) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine
PubChem CID65330811
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine
SMILESNC(c1occc1Br)C1CCCO1
InChIInChI=1S/C9H12BrNO2/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h3,5,7-8H,1-2,4,11H2
InChIKeyGETDGXKUWWXOMO-UHFFFAOYSA-N
XLogP2.22
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine (CID 65330811) is (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine is NC(c1occc1Br)C1CCCO1.
What is the InChIKey of (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine?
The InChIKey is GETDGXKUWWXOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h3,5,7-8H,1-2,4,11H2.
What are the key properties of (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine?
(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine has a molecular weight of 246.10 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65330811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).