2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine

C10H16BrNO — CID 165353121

IUPAC2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(C)(N)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-9(2,3)10(4,12)8-7(11)5-6-13-8/h5-6H,12H2,1-4H3
InChIKeyCZDGKIHBPQLIKV-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.26
Rot. Bonds1

About 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine

2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 165353121) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID165353121
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(C)(N)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-9(2,3)10(4,12)8-7(11)5-6-13-8/h5-6H,12H2,1-4H3
InChIKeyCZDGKIHBPQLIKV-UHFFFAOYSA-N
XLogP3.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine (CID 165353121) is 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine is CC(C)(C)C(C)(N)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is CZDGKIHBPQLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-9(2,3)10(4,12)8-7(11)5-6-13-8/h5-6H,12H2,1-4H3.
What are the key properties of 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine?
2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 246.15 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 165353121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).