2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol

C11H15NO3 — CID 167758357

IUPAC2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol
SMILESCC(NCCO)c1cccc2c1OCO2
InChIInChI=1S/C11H15NO3/c1-8(12-5-6-13)9-3-2-4-10-11(9)15-7-14-10/h2-4,8,12-13H,5-7H2,1H3
InChIKeyJUCKYRPAHVOZGX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.06
Rot. Bonds4

About 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol

2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol (PubChem CID 167758357) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol
PubChem CID167758357
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol
SMILESCC(NCCO)c1cccc2c1OCO2
InChIInChI=1S/C11H15NO3/c1-8(12-5-6-13)9-3-2-4-10-11(9)15-7-14-10/h2-4,8,12-13H,5-7H2,1H3
InChIKeyJUCKYRPAHVOZGX-UHFFFAOYSA-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

(3R)-3-amino-3-(1,3-benzodioxol-4-yl)-2,2-dimethylpropan-1-ol
CID 131279088
N-(1,3-benzodioxol-4-ylmethyl)-1-(2-chlorophenyl)ethanamine
CID 43583627
(2R)-2-(1,3-benzodioxol-4-ylmethylamino)propan-1-ol
CID 93187645
2-(1,3-benzodioxol-4-ylmethylamino)-3-methylbutan-1-ol
CID 79254249
(2R)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 66513528
(2S)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 55277961
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
2-[1-(1,3-benzodioxol-4-yl)ethylamino]-3-(furan-3-yl)propan-1-ol
CID 166298254
2-[1-(1,3-benzodioxol-4-ylmethylamino)ethyl]-5-methylphenol
CID 61212273
N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutan-2-amine
CID 115623154
2-[1-(1,3-benzodioxol-4-ylmethylamino)ethyl]-5-fluorophenol
CID 63068178
(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 94152295

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol (CID 167758357) is 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol is CC(NCCO)c1cccc2c1OCO2.
What is the InChIKey of 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol?
The InChIKey is JUCKYRPAHVOZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(12-5-6-13)9-3-2-4-10-11(9)15-7-14-10/h2-4,8,12-13H,5-7H2,1H3.
What are the key properties of 2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol?
2-[1-(1,3-benzodioxol-4-yl)ethylamino]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-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol is sourced from PubChem (CID 167758357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).