(2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol

C24H25NO4 — CID 93147170

IUPAC(2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol
SMILESO[C@@H](COc1ccccc1)CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H25NO4/c26-21(17-27-22-9-5-2-6-10-22)16-25(14-19-7-3-1-4-8-19)15-20-11-12-23-24(13-20)29-18-28-23/h1-13,21,26H,14-18H2/t21-/m1/s1
InChIKeySDQXCUHUOQFDAY-OAQYLSRUSA-N
MW391.47 g/mol
LogP3.86
Rot. Bonds9

About (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol

(2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol (PubChem CID 93147170) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol
PubChem CID93147170
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol
SMILESO[C@@H](COc1ccccc1)CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H25NO4/c26-21(17-27-22-9-5-2-6-10-22)16-25(14-19-7-3-1-4-8-19)15-20-11-12-23-24(13-20)29-18-28-23/h1-13,21,26H,14-18H2/t21-/m1/s1
InChIKeySDQXCUHUOQFDAY-OAQYLSRUSA-N
XLogP3.86
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93147393
1-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 42682349
1-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 42682239
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenoxypropan-2-ol
CID 78805399
1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 46007808
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93163983
1-(1,3-benzodioxol-5-ylmethoxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol
CID 4854607
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
1-[1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]amino]propan-2-ol
CID 43818285
1-[1,3-benzodioxol-5-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007487
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93147147

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol (CID 93147170) is (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol is O[C@@H](COc1ccccc1)CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is SDQXCUHUOQFDAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25NO4/c26-21(17-27-22-9-5-2-6-10-22)16-25(14-19-7-3-1-4-8-19)15-20-11-12-23-24(13-20)29-18-28-23/h1-13,21,26H,14-18H2/t21-/m1/s1.
What are the key properties of (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol?
(2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 391.47 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93147170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).