2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine

C11H15NO — CID 82410392

IUPAC2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
SMILESNCCc1ccc2c(c1)COCC2
InChIInChI=1S/C11H15NO/c12-5-3-9-1-2-10-4-6-13-8-11(10)7-9/h1-2,7H,3-6,8,12H2
InChIKeySOCVBIUEYOONMO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.26
Rot. Bonds2

About 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine

2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine (PubChem CID 82410392) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
PubChem CID82410392
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
SMILESNCCc1ccc2c(c1)COCC2
InChIInChI=1S/C11H15NO/c12-5-3-9-1-2-10-4-6-13-8-11(10)7-9/h1-2,7H,3-6,8,12H2
InChIKeySOCVBIUEYOONMO-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine (CID 82410392) is 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine is NCCc1ccc2c(c1)COCC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
The InChIKey is SOCVBIUEYOONMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-5-3-9-1-2-10-4-6-13-8-11(10)7-9/h1-2,7H,3-6,8,12H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-7-yl)ethanamine is sourced from PubChem (CID 82410392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).