2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol

C14H21NO4 — CID 60593016

IUPAC2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C14H21NO4/c1-2-15(7-8-16)6-3-9-17-12-4-5-13-14(10-12)19-11-18-13/h4-5,10,16H,2-3,6-9,11H2,1H3
InChIKeyCWSVJFKONFTCTK-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.50
Rot. Bonds8

About 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol

2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol (PubChem CID 60593016) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol
PubChem CID60593016
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C14H21NO4/c1-2-15(7-8-16)6-3-9-17-12-4-5-13-14(10-12)19-11-18-13/h4-5,10,16H,2-3,6-9,11H2,1H3
InChIKeyCWSVJFKONFTCTK-UHFFFAOYSA-N
XLogP1.50
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(1,3-benzodioxol-5-yloxy)acetate
CID 54941607
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
2-[[2-(1,3-benzodioxol-5-yl)-2-chloroethyl]-ethylamino]ethanol
CID 82215210
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
3-[2-(1,3-benzodioxol-5-yloxy)ethoxy]aniline
CID 39372047
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-butyl-1-methylurea
CID 112975151
3-(1,3-benzodioxol-5-yloxy)-N-ethylpropane-1-sulfonamide
CID 16884230
5-but-3-enoxy-1,3-benzodioxole
CID 10511936
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
3-(1,3-benzodioxol-5-yloxy)propane-1-sulfonate
CID 20593635

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol (CID 60593016) is 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol is CCN(CCO)CCCOc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol?
The InChIKey is CWSVJFKONFTCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-15(7-8-16)6-3-9-17-12-4-5-13-14(10-12)19-11-18-13/h4-5,10,16H,2-3,6-9,11H2,1H3.
What are the key properties of 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol?
2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol has a molecular weight of 267.32 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol is sourced from PubChem (CID 60593016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).