2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride

C15H22ClNO4 — CID 2864468

IUPAC2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-3-16(4-2)7-8-20-15(17)12-5-6-13-14(11-12)19-10-9-18-13;/h5-6,11H,3-4,7-10H2,1-2H3;1H
InChIKeyZQFZCQMYBGBKDH-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.38
Rot. Bonds6

About 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride

2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride (PubChem CID 2864468) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
PubChem CID2864468
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-3-16(4-2)7-8-20-15(17)12-5-6-13-14(11-12)19-10-9-18-13;/h5-6,11H,3-4,7-10H2,1-2H3;1H
InChIKeyZQFZCQMYBGBKDH-UHFFFAOYSA-N
XLogP2.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3457414
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride
CID 21228916
2-[methyl(propan-2-yl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride
CID 53314497
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
2-[benzyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 661562
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841697
2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
CID 138399963
2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate
CID 30448665
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride (CID 2864468) is 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride is CCN(CC)CCOC(=O)c1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
The InChIKey is ZQFZCQMYBGBKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.ClH/c1-3-16(4-2)7-8-20-15(17)12-5-6-13-14(11-12)19-10-9-18-13;/h5-6,11H,3-4,7-10H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride is sourced from PubChem (CID 2864468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).