(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol

C11H15NO2 — CID 131142085

IUPAC(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol
SMILESN[C@@H](CO)c1cccc2c1CCCO2
InChIInChI=1S/C11H15NO2/c12-10(7-13)8-3-1-5-11-9(8)4-2-6-14-11/h1,3,5,10,13H,2,4,6-7,12H2/t10-/m0/s1
InChIKeyMAIJVUWWROFQAW-JTQLQIEISA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds2

About (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol

(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol (PubChem CID 131142085) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol
PubChem CID131142085
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol
SMILESN[C@@H](CO)c1cccc2c1CCCO2
InChIInChI=1S/C11H15NO2/c12-10(7-13)8-3-1-5-11-9(8)4-2-6-14-11/h1,3,5,10,13H,2,4,6-7,12H2/t10-/m0/s1
InChIKeyMAIJVUWWROFQAW-JTQLQIEISA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 66513528
2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 82605108
(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 96753008
5-bromo-3,4-dihydro-2H-chromene
CID 22009964
3-(3,4-dihydro-2H-chromen-5-yl)propanamide
CID 19611662
(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
CID 131215495
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347
(4S)-4-amino-4-(2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-ol;hydrochloride
CID 171233250
2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol
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(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine
CID 131172256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol (CID 131142085) is (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol is N[C@@H](CO)c1cccc2c1CCCO2.
What is the InChIKey of (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol?
The InChIKey is MAIJVUWWROFQAW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c12-10(7-13)8-3-1-5-11-9(8)4-2-6-14-11/h1,3,5,10,13H,2,4,6-7,12H2/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol?
(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol has a molecular weight of 193.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol is sourced from PubChem (CID 131142085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).