5-bromo-2-propan-2-ylfuran-3-amine

C7H10BrNO — CID 82396772

IUPAC5-bromo-2-propan-2-ylfuran-3-amine
SMILESCC(C)c1oc(Br)cc1N
InChIInChI=1S/C7H10BrNO/c1-4(2)7-5(9)3-6(8)10-7/h3-4H,9H2,1-2H3
InChIKeyYYOPHJGZZIZIMH-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.75
Rot. Bonds1

About 5-bromo-2-propan-2-ylfuran-3-amine

5-bromo-2-propan-2-ylfuran-3-amine (PubChem CID 82396772) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylfuran-3-amine.

Molecular Properties

Compound Name5-bromo-2-propan-2-ylfuran-3-amine
PubChem CID82396772
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name5-bromo-2-propan-2-ylfuran-3-amine
SMILESCC(C)c1oc(Br)cc1N
InChIInChI=1S/C7H10BrNO/c1-4(2)7-5(9)3-6(8)10-7/h3-4H,9H2,1-2H3
InChIKeyYYOPHJGZZIZIMH-UHFFFAOYSA-N
XLogP2.75
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-ylfuran-3-amine?
The IUPAC name of 5-bromo-2-propan-2-ylfuran-3-amine (CID 82396772) is 5-bromo-2-propan-2-ylfuran-3-amine.
What is the SMILES notation for 5-bromo-2-propan-2-ylfuran-3-amine?
The canonical SMILES for 5-bromo-2-propan-2-ylfuran-3-amine is CC(C)c1oc(Br)cc1N.
What is the InChIKey of 5-bromo-2-propan-2-ylfuran-3-amine?
The InChIKey is YYOPHJGZZIZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-4(2)7-5(9)3-6(8)10-7/h3-4H,9H2,1-2H3.
What are the key properties of 5-bromo-2-propan-2-ylfuran-3-amine?
5-bromo-2-propan-2-ylfuran-3-amine has a molecular weight of 204.07 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-ylfuran-3-amine is sourced from PubChem (CID 82396772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).