2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol

C12H17NO3 — CID 92968244

IUPAC2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol
SMILESCCN(CCO)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C12H17NO3/c1-2-13(7-8-14)12-9-15-10-5-3-4-6-11(10)16-12/h3-6,12,14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyZKAKIZKTGWUHFD-LBPRGKRZSA-N
MW223.27 g/mol
LogP1.10
Rot. Bonds4

About 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol

2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol (PubChem CID 92968244) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol
PubChem CID92968244
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol
SMILESCCN(CCO)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C12H17NO3/c1-2-13(7-8-14)12-9-15-10-5-3-4-6-11(10)16-12/h3-6,12,14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyZKAKIZKTGWUHFD-LBPRGKRZSA-N
XLogP1.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,6-N-didecyl-2-N,6-N-diethyl-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-2,6-diamine
CID 139953221
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 44883375
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
2-(2,3-dihydro-1,4-benzodioxin-3-ylamino)ethanol
CID 70091861
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 71633036
N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 90805957
N'-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide;dihydrochloride
CID 3076218
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-hydroxybenzamide
CID 112791959
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715
2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol
CID 84665334

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol (CID 92968244) is 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol is CCN(CCO)[C@@H]1COc2ccccc2O1.
What is the InChIKey of 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol?
The InChIKey is ZKAKIZKTGWUHFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-13(7-8-14)12-9-15-10-5-3-4-6-11(10)16-12/h3-6,12,14H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol?
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol has a molecular weight of 223.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-ethylamino]ethanol is sourced from PubChem (CID 92968244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).