(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol

C16H24N2O4 — CID 95264989

IUPAC(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol
SMILESC[C@H](CN1CCOCC1)NC[C@@H](O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H24N2O4/c1-12(10-18-4-6-20-7-5-18)17-9-14(19)13-2-3-15-16(8-13)22-11-21-15/h2-3,8,12,14,17,19H,4-7,9-11H2,1H3/t12-,14-/m1/s1
InChIKeyWDLJDQFEIVQJCA-TZMCWYRMSA-N
MW308.38 g/mol
LogP0.76
Rot. Bonds6

About (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol

(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol (PubChem CID 95264989) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol
PubChem CID95264989
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol
SMILESC[C@H](CN1CCOCC1)NC[C@@H](O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H24N2O4/c1-12(10-18-4-6-20-7-5-18)17-9-14(19)13-2-3-15-16(8-13)22-11-21-15/h2-3,8,12,14,17,19H,4-7,9-11H2,1H3/t12-,14-/m1/s1
InChIKeyWDLJDQFEIVQJCA-TZMCWYRMSA-N
XLogP0.76
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol with MolForge

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]butan-1-ol
CID 83176928
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
CID 60969893
1-(1,3-benzodioxol-5-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115627491
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675
1-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81395922
(2R)-1-(1-morpholin-4-ylpropan-2-ylamino)propan-2-ol
CID 106931969
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol
CID 64597062
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
CID 6917732
1-(1,3-benzodioxol-5-yl)-2-(oxan-4-ylmethylamino)ethanol
CID 63727696
ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]propanoate
CID 61499317

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol?
The IUPAC name of (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol (CID 95264989) is (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol.
What is the SMILES notation for (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol?
The canonical SMILES for (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol is C[C@H](CN1CCOCC1)NC[C@@H](O)c1ccc2c(c1)OCO2.
What is the InChIKey of (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol?
The InChIKey is WDLJDQFEIVQJCA-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(10-18-4-6-20-7-5-18)17-9-14(19)13-2-3-15-16(8-13)22-11-21-15/h2-3,8,12,14,17,19H,4-7,9-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol?
(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol has a molecular weight of 308.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 95264989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).