1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol

C25H27NO4 — CID 13323724

IUPAC1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol
SMILESCC1(C)Oc2cccc(OCC(O)CNC(c3ccccc3)c3ccccc3)c2O1
InChIInChI=1S/C25H27NO4/c1-25(2)29-22-15-9-14-21(24(22)30-25)28-17-20(27)16-26-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,20,23,26-27H,16-17H2,1-2H3
InChIKeyUAZHRIZJJCVDLA-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.31
Rot. Bonds8

About 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol

1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol (PubChem CID 13323724) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol
PubChem CID13323724
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol
SMILESCC1(C)Oc2cccc(OCC(O)CNC(c3ccccc3)c3ccccc3)c2O1
InChIInChI=1S/C25H27NO4/c1-25(2)29-22-15-9-14-21(24(22)30-25)28-17-20(27)16-26-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,20,23,26-27H,16-17H2,1-2H3
InChIKeyUAZHRIZJJCVDLA-UHFFFAOYSA-N
XLogP4.31
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(butylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol
CID 13323732
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 7372981
1-(benzhydrylamino)-3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 6365587
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol
CID 10447333
1-(2-tert-butylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237866
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 6363302
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
1-(2-nitrophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 3409707
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol?
The IUPAC name of 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol (CID 13323724) is 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol is CC1(C)Oc2cccc(OCC(O)CNC(c3ccccc3)c3ccccc3)c2O1.
What is the InChIKey of 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol?
The InChIKey is UAZHRIZJJCVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-25(2)29-22-15-9-14-21(24(22)30-25)28-17-20(27)16-26-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,20,23,26-27H,16-17H2,1-2H3.
What are the key properties of 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol?
1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol has a molecular weight of 405.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylamino)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 13323724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).