1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine

C9H14BrNO — CID 131002355

IUPAC1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine
SMILESCc1oc(Br)cc1C(N)C(C)C
InChIInChI=1S/C9H14BrNO/c1-5(2)9(11)7-4-8(10)12-6(7)3/h4-5,9H,11H2,1-3H3
InChIKeyPNDGTYOLPJMDIW-UHFFFAOYSA-N
MW232.12 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine

1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine (PubChem CID 131002355) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine
PubChem CID131002355
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine
SMILESCc1oc(Br)cc1C(N)C(C)C
InChIInChI=1S/C9H14BrNO/c1-5(2)9(11)7-4-8(10)12-6(7)3/h4-5,9H,11H2,1-3H3
InChIKeyPNDGTYOLPJMDIW-UHFFFAOYSA-N
XLogP3.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine (CID 131002355) is 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine is Cc1oc(Br)cc1C(N)C(C)C.
What is the InChIKey of 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine?
The InChIKey is PNDGTYOLPJMDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-5(2)9(11)7-4-8(10)12-6(7)3/h4-5,9H,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine?
1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylfuran-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 131002355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).