(1R)-1-(6H-isochromen-7-yl)ethanamine

C11H13NO — CID 123692723

IUPAC(1R)-1-(6H-isochromen-7-yl)ethanamine
SMILESC[C@@H](N)C1=CC2=COC=CC2=CC1
InChIInChI=1S/C11H13NO/c1-8(12)10-3-2-9-4-5-13-7-11(9)6-10/h2,4-8H,3,12H2,1H3/t8-/m1/s1
InChIKeyJJFVTQRGDDWOIA-MRVPVSSYSA-N
MW175.23 g/mol
LogP2.02
Rot. Bonds1

About (1R)-1-(6H-isochromen-7-yl)ethanamine

(1R)-1-(6H-isochromen-7-yl)ethanamine (PubChem CID 123692723) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1R)-1-(6H-isochromen-7-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6H-isochromen-7-yl)ethanamine
PubChem CID123692723
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1R)-1-(6H-isochromen-7-yl)ethanamine
SMILESC[C@@H](N)C1=CC2=COC=CC2=CC1
InChIInChI=1S/C11H13NO/c1-8(12)10-3-2-9-4-5-13-7-11(9)6-10/h2,4-8H,3,12H2,1H3/t8-/m1/s1
InChIKeyJJFVTQRGDDWOIA-MRVPVSSYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6H-isochromen-7-yl)ethanamine?
The IUPAC name of (1R)-1-(6H-isochromen-7-yl)ethanamine (CID 123692723) is (1R)-1-(6H-isochromen-7-yl)ethanamine.
What is the SMILES notation for (1R)-1-(6H-isochromen-7-yl)ethanamine?
The canonical SMILES for (1R)-1-(6H-isochromen-7-yl)ethanamine is C[C@@H](N)C1=CC2=COC=CC2=CC1.
What is the InChIKey of (1R)-1-(6H-isochromen-7-yl)ethanamine?
The InChIKey is JJFVTQRGDDWOIA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(12)10-3-2-9-4-5-13-7-11(9)6-10/h2,4-8H,3,12H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(6H-isochromen-7-yl)ethanamine?
(1R)-1-(6H-isochromen-7-yl)ethanamine has a molecular weight of 175.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6H-isochromen-7-yl)ethanamine is sourced from PubChem (CID 123692723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).