1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine

C13H19N3O3 — CID 83015045

IUPAC1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H19N3O3/c14-8-11(15-16-3-5-17-6-4-16)10-1-2-12-13(7-10)19-9-18-12/h1-2,7,11,15H,3-6,8-9,14H2
InChIKeyGZHQLSVQPRZVKJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.25
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine

1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine (PubChem CID 83015045) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine
PubChem CID83015045
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H19N3O3/c14-8-11(15-16-3-5-17-6-4-16)10-1-2-12-13(7-10)19-9-18-12/h1-2,7,11,15H,3-6,8-9,14H2
InChIKeyGZHQLSVQPRZVKJ-UHFFFAOYSA-N
XLogP0.25
TPSA68.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017210
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017196
1-(1,3-benzodioxol-5-yl)-N-benzylethane-1,2-diamine
CID 65383583
1-(1,3-benzodioxol-5-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912624
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylethane-1,2-diamine
CID 55030455
N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
CID 65384605
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
CID 93341356
3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765503
(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol
CID 95264989

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine (CID 83015045) is 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine is NCC(NN1CCOCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine?
The InChIKey is GZHQLSVQPRZVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-8-11(15-16-3-5-17-6-4-16)10-1-2-12-13(7-10)19-9-18-12/h1-2,7,11,15H,3-6,8-9,14H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine?
1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine has a molecular weight of 265.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine is sourced from PubChem (CID 83015045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).