(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol

C11H15NO2 — CID 96753008

IUPAC(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
SMILESN[C@H](CO)c1ccc2c(c1)OCCC2
InChIInChI=1S/C11H15NO2/c12-10(7-13)9-4-3-8-2-1-5-14-11(8)6-9/h3-4,6,10,13H,1-2,5,7,12H2/t10-/m1/s1
InChIKeyXUOMJNCFGXTACP-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds2

About (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol

(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol (PubChem CID 96753008) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
PubChem CID96753008
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
SMILESN[C@H](CO)c1ccc2c(c1)OCCC2
InChIInChI=1S/C11H15NO2/c12-10(7-13)9-4-3-8-2-1-5-14-11(8)6-9/h3-4,6,10,13H,1-2,5,7,12H2/t10-/m1/s1
InChIKeyXUOMJNCFGXTACP-SNVBAGLBSA-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

2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 82605108
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate
CID 105475565
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium
CID 162113135
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethane-1,2-diamine
CID 66516964
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol (CID 96753008) is (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol is N[C@H](CO)c1ccc2c(c1)OCCC2.
What is the InChIKey of (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol?
The InChIKey is XUOMJNCFGXTACP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c12-10(7-13)9-4-3-8-2-1-5-14-11(8)6-9/h3-4,6,10,13H,1-2,5,7,12H2/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol?
(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-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 (2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol is sourced from PubChem (CID 96753008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).