2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine

C13H19NO — CID 79561772

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1ccoc1
InChIInChI=1S/C13H19NO/c14-13(11-3-4-15-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7,14H2
InChIKeyJJBXDKYLIKICIT-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine (PubChem CID 79561772) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine
PubChem CID79561772
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1ccoc1
InChIInChI=1S/C13H19NO/c14-13(11-3-4-15-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7,14H2
InChIKeyJJBXDKYLIKICIT-UHFFFAOYSA-N
XLogP3.11
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine (CID 79561772) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine is NC(CC1CC2CCC1C2)c1ccoc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine?
The InChIKey is JJBXDKYLIKICIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-13(11-3-4-15-8-11)7-12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7,14H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 79561772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).