(1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine

C13H17NO2 — CID 134215142

IUPAC(1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine
SMILESC[C@H](N)[C@@H]1OCCc2ccc3c(c21)OCC3
InChIInChI=1S/C13H17NO2/c1-8(14)12-11-9(4-6-15-12)2-3-10-5-7-16-13(10)11/h2-3,8,12H,4-7,14H2,1H3/t8-,12-/m0/s1
InChIKeyBYQJTKDJRZHIMS-UFBFGSQYSA-N
MW219.28 g/mol
LogP1.58
Rot. Bonds1

About (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine

(1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine (PubChem CID 134215142) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine
PubChem CID134215142
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine
SMILESC[C@H](N)[C@@H]1OCCc2ccc3c(c21)OCC3
InChIInChI=1S/C13H17NO2/c1-8(14)12-11-9(4-6-15-12)2-3-10-5-7-16-13(10)11/h2-3,8,12H,4-7,14H2,1H3/t8-,12-/m0/s1
InChIKeyBYQJTKDJRZHIMS-UFBFGSQYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine?
The IUPAC name of (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine (CID 134215142) is (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine?
The canonical SMILES for (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine is C[C@H](N)[C@@H]1OCCc2ccc3c(c21)OCC3.
What is the InChIKey of (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine?
The InChIKey is BYQJTKDJRZHIMS-UFBFGSQYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(14)12-11-9(4-6-15-12)2-3-10-5-7-16-13(10)11/h2-3,8,12H,4-7,14H2,1H3/t8-,12-/m0/s1.
What are the key properties of (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine?
(1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine has a molecular weight of 219.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(9R)-3,6,7,9-tetrahydro-2H-furo[3,2-h]isochromen-9-yl]ethanamine is sourced from PubChem (CID 134215142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).