2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol

C11H15NO3 — CID 29083160

IUPAC2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
SMILESC[C@@H](NCCO)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-8(12-4-5-13)9-2-3-10-11(6-9)15-7-14-10/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyVBTOOOJZTWGVRN-MRVPVSSYSA-N
MW209.24 g/mol
LogP1.06
Rot. Bonds4

About 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol

2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol (PubChem CID 29083160) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
PubChem CID29083160
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
SMILESC[C@@H](NCCO)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-8(12-4-5-13)9-2-3-10-11(6-9)15-7-14-10/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyVBTOOOJZTWGVRN-MRVPVSSYSA-N
XLogP1.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 63226050
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]butan-1-ol
CID 106840592
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 113348615
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66006062
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314707
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol (CID 29083160) is 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol is C[C@@H](NCCO)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol?
The InChIKey is VBTOOOJZTWGVRN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(12-4-5-13)9-2-3-10-11(6-9)15-7-14-10/h2-3,6,8,12-13H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol?
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol has a molecular weight of 209.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol is sourced from PubChem (CID 29083160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).