[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol

C11H15Br2NO3 — CID 79134897

IUPAC[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol
SMILESNCC1(C(O)c2cc(Br)c(Br)o2)CCOCC1
InChIInChI=1S/C11H15Br2NO3/c12-7-5-8(17-10(7)13)9(15)11(6-14)1-3-16-4-2-11/h5,9,15H,1-4,6,14H2
InChIKeyCZLGTCNCDSZAII-UHFFFAOYSA-N
MW369.05 g/mol
LogP2.59
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol

[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol (PubChem CID 79134897) has the molecular formula C11H15Br2NO3 and a molecular weight of 369.05 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol
PubChem CID79134897
Molecular FormulaC11H15Br2NO3
Molecular Weight369.05 g/mol
Exact Mass366.94
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol
SMILESNCC1(C(O)c2cc(Br)c(Br)o2)CCOCC1
InChIInChI=1S/C11H15Br2NO3/c12-7-5-8(17-10(7)13)9(15)11(6-14)1-3-16-4-2-11/h5,9,15H,1-4,6,14H2
InChIKeyCZLGTCNCDSZAII-UHFFFAOYSA-N
XLogP2.59
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.05
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol (CID 79134897) is [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol is NCC1(C(O)c2cc(Br)c(Br)o2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol?
The InChIKey is CZLGTCNCDSZAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3/c12-7-5-8(17-10(7)13)9(15)11(6-14)1-3-16-4-2-11/h5,9,15H,1-4,6,14H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol?
[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol has a molecular weight of 369.05 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol is sourced from PubChem (CID 79134897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).