3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol

C17H28N2O3 — CID 56638172

IUPAC3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC1CNc2cccc(OCC(O)CNCC(C)(C)CO)c21
InChIInChI=1S/C17H28N2O3/c1-12-7-19-14-5-4-6-15(16(12)14)22-9-13(21)8-18-10-17(2,3)11-20/h4-6,12-13,18-21H,7-11H2,1-3H3
InChIKeyRBCCIAAZHSORFI-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.56
Rot. Bonds8

About 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol

3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 56638172) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID56638172
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC1CNc2cccc(OCC(O)CNCC(C)(C)CO)c21
InChIInChI=1S/C17H28N2O3/c1-12-7-19-14-5-4-6-15(16(12)14)22-9-13(21)8-18-10-17(2,3)11-20/h4-6,12-13,18-21H,7-11H2,1-3H3
InChIKeyRBCCIAAZHSORFI-UHFFFAOYSA-N
XLogP1.56
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol (CID 56638172) is 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol is CC1CNc2cccc(OCC(O)CNCC(C)(C)CO)c21.
What is the InChIKey of 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is RBCCIAAZHSORFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12-7-19-14-5-4-6-15(16(12)14)22-9-13(21)8-18-10-17(2,3)11-20/h4-6,12-13,18-21H,7-11H2,1-3H3.
What are the key properties of 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 1.56, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 56638172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).