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

C10H13NO3 — CID 7300390

IUPAC(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESNC[C@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,12H,3-4,6,11H2/t8-/m0/s1
InChIKeyPNXFUGHWZSOHMC-QMMMGPOBSA-N
MW195.22 g/mol
LogP0.45
Rot. Bonds2

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

(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (PubChem CID 7300390) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
PubChem CID7300390
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESNC[C@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,12H,3-4,6,11H2/t8-/m0/s1
InChIKeyPNXFUGHWZSOHMC-QMMMGPOBSA-N
XLogP0.45
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 60869534
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
CID 155152100
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 80525401

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (CID 7300390) is (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is NC[C@H](O)c1ccc2c(c1)OCCO2.
What is the InChIKey of (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The InChIKey is PNXFUGHWZSOHMC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,12H,3-4,6,11H2/t8-/m0/s1.
What are the key properties of (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol has a molecular weight of 195.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is sourced from PubChem (CID 7300390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).