(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol

C11H15NO2 — CID 96752946

IUPAC(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol
SMILESNC[C@H](O)c1ccc2c(c1)CCOC2
InChIInChI=1S/C11H15NO2/c12-6-11(13)9-1-2-10-7-14-4-3-8(10)5-9/h1-2,5,11,13H,3-4,6-7,12H2/t11-/m0/s1
InChIKeyORAZSTGMPSJYBU-NSHDSACASA-N
MW193.25 g/mol
LogP0.75
Rot. Bonds2

About (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol

(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol (PubChem CID 96752946) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol
PubChem CID96752946
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol
SMILESNC[C@H](O)c1ccc2c(c1)CCOC2
InChIInChI=1S/C11H15NO2/c12-6-11(13)9-1-2-10-7-14-4-3-8(10)5-9/h1-2,5,11,13H,3-4,6-7,12H2/t11-/m0/s1
InChIKeyORAZSTGMPSJYBU-NSHDSACASA-N
XLogP0.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
3-(3,4-dihydro-1H-isochromen-6-yl)butanoic acid
CID 82616230
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
CID 82599521
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
3,4-dihydro-1H-isochromen-6-amine;hydrochloride
CID 122164228
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol
CID 65188279
2-amino-1-(9H-fluoren-2-yl)ethanol
CID 14023206
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol (CID 96752946) is (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol is NC[C@H](O)c1ccc2c(c1)CCOC2.
What is the InChIKey of (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol?
The InChIKey is ORAZSTGMPSJYBU-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c12-6-11(13)9-1-2-10-7-14-4-3-8(10)5-9/h1-2,5,11,13H,3-4,6-7,12H2/t11-/m0/s1.
What are the key properties of (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol?
(1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol has a molecular weight of 193.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)ethanol is sourced from PubChem (CID 96752946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).