(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine

C13H18BrNO — CID 106859008

IUPAC(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
SMILESNC(/C1=C/CCCCCC1)c1ccoc1Br
InChIInChI=1S/C13H18BrNO/c14-13-11(8-9-16-13)12(15)10-6-4-2-1-3-5-7-10/h6,8-9,12H,1-5,7,15H2/b10-6+
InChIKeyXFVGSNJHZXJATQ-UXBLZVDNSA-N
MW284.20 g/mol
LogP4.32
Rot. Bonds2

About (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine

(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine (PubChem CID 106859008) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
PubChem CID106859008
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
SMILESNC(/C1=C/CCCCCC1)c1ccoc1Br
InChIInChI=1S/C13H18BrNO/c14-13-11(8-9-16-13)12(15)10-6-4-2-1-3-5-7-10/h6,8-9,12H,1-5,7,15H2/b10-6+
InChIKeyXFVGSNJHZXJATQ-UXBLZVDNSA-N
XLogP4.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine
CID 107960917
[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
CID 106656353
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
(4-bromothiophen-2-yl)-(cycloocten-1-yl)methanamine
CID 106653050

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine?
The IUPAC name of (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine (CID 106859008) is (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine is NC(/C1=C/CCCCCC1)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine?
The InChIKey is XFVGSNJHZXJATQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-13-11(8-9-16-13)12(15)10-6-4-2-1-3-5-7-10/h6,8-9,12H,1-5,7,15H2/b10-6+.
What are the key properties of (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine?
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine is sourced from PubChem (CID 106859008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).