2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine

C10H16BrNO — CID 83843681

IUPAC2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine
SMILESCCC(C)c1oc(CCN)cc1Br
InChIInChI=1S/C10H16BrNO/c1-3-7(2)10-9(11)6-8(13-10)4-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeyIYEKMTGCECKRGR-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine

2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine (PubChem CID 83843681) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine
PubChem CID83843681
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine
SMILESCCC(C)c1oc(CCN)cc1Br
InChIInChI=1S/C10H16BrNO/c1-3-7(2)10-9(11)6-8(13-10)4-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeyIYEKMTGCECKRGR-UHFFFAOYSA-N
XLogP3.06
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine
CID 83844270
2-(5-pentan-3-ylfuran-2-yl)ethanamine
CID 83828417
2-(4-bromo-1-benzofuran-2-yl)ethanamine
CID 117119914
2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
CID 107739581
2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62070943
2-(5-ethylfuran-2-yl)ethanamine
CID 62346486
2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone
CID 83845172
2-(6-bromo-1-benzofuran-2-yl)ethanamine
CID 71291046
2-(4-bromofuran-2-yl)ethanamine
CID 55254644
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine
CID 84809694
2-(6-bromofuro[3,2-b]pyridin-2-yl)ethanamine
CID 170869009

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine (CID 83843681) is 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine is CCC(C)c1oc(CCN)cc1Br.
What is the InChIKey of 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine?
The InChIKey is IYEKMTGCECKRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-3-7(2)10-9(11)6-8(13-10)4-5-12/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine?
2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine has a molecular weight of 246.15 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine is sourced from PubChem (CID 83843681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).