1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol

C16H24N2O4 — CID 42883936

IUPAC1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccc2c(c1)OCO2)CC(O)CN1CCOCC1
InChIInChI=1S/C16H24N2O4/c1-17(10-14(19)11-18-4-6-20-7-5-18)9-13-2-3-15-16(8-13)22-12-21-15/h2-3,8,14,19H,4-7,9-12H2,1H3
InChIKeyQNWZTEXBSMTIEL-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.54
Rot. Bonds6

About 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol

1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 42883936) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID42883936
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccc2c(c1)OCO2)CC(O)CN1CCOCC1
InChIInChI=1S/C16H24N2O4/c1-17(10-14(19)11-18-4-6-20-7-5-18)9-13-2-3-15-16(8-13)22-12-21-15/h2-3,8,14,19H,4-7,9-12H2,1H3
InChIKeyQNWZTEXBSMTIEL-UHFFFAOYSA-N
XLogP0.54
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 47022512
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenoxypropan-2-ol
CID 78805399
1-[(3,4-difluorophenyl)methyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111105875
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
(2S)-1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124737593
1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol
CID 82303720

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol (CID 42883936) is 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1ccc2c(c1)OCO2)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is QNWZTEXBSMTIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-17(10-14(19)11-18-4-6-20-7-5-18)9-13-2-3-15-16(8-13)22-12-21-15/h2-3,8,14,19H,4-7,9-12H2,1H3.
What are the key properties of 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 308.38 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 42883936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).