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

C11H15NO — CID 82599521

IUPAC1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)COCC2
InChIInChI=1S/C11H15NO/c1-8(12)10-3-2-9-4-5-13-7-11(9)6-10/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyHNGIUMHZCNXBPG-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.78
Rot. Bonds1

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

1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine (PubChem CID 82599521) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
PubChem CID82599521
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)COCC2
InChIInChI=1S/C11H15NO/c1-8(12)10-3-2-9-4-5-13-7-11(9)6-10/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyHNGIUMHZCNXBPG-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
CID 169081091
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
CID 59487278
(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol
CID 96752946
7-bromo-3,4-dihydro-1H-isochromene
CID 10560525
3-(3,4-dihydro-1H-isochromen-6-yl)butanoic acid
CID 82616230
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one
CID 82609750
3,4-dihydro-1H-isochromene;ethane;methanamine
CID 142279347

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine (CID 82599521) is 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine is CC(N)c1ccc2c(c1)COCC2.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
The InChIKey is HNGIUMHZCNXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(12)10-3-2-9-4-5-13-7-11(9)6-10/h2-3,6,8H,4-5,7,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine?
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine is sourced from PubChem (CID 82599521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).