3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine

C9H14BrNO — CID 83895022

IUPAC3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine
SMILESCc1oc(Br)c(C)c1CCCN
InChIInChI=1S/C9H14BrNO/c1-6-8(4-3-5-11)7(2)12-9(6)10/h3-5,11H2,1-2H3
InChIKeyWSAXLGQFIXNLGC-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.55
Rot. Bonds3

About 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine

3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine (PubChem CID 83895022) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine
PubChem CID83895022
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine
SMILESCc1oc(Br)c(C)c1CCCN
InChIInChI=1S/C9H14BrNO/c1-6-8(4-3-5-11)7(2)12-9(6)10/h3-5,11H2,1-2H3
InChIKeyWSAXLGQFIXNLGC-UHFFFAOYSA-N
XLogP2.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine (CID 83895022) is 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine is Cc1oc(Br)c(C)c1CCCN.
What is the InChIKey of 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine?
The InChIKey is WSAXLGQFIXNLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-6-8(4-3-5-11)7(2)12-9(6)10/h3-5,11H2,1-2H3.
What are the key properties of 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine?
3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine is sourced from PubChem (CID 83895022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).