1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol

C19H31NO3 — CID 101171640

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC(O)COc1cccc2c1OC(C)(C)C2)C(C)C
InChIInChI=1S/C19H31NO3/c1-13(2)20(14(3)4)11-16(21)12-22-17-9-7-8-15-10-19(5,6)23-18(15)17/h7-9,13-14,16,21H,10-12H2,1-6H3
InChIKeyLXGVILNUAVOYNT-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.26
Rot. Bonds7

About 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol (PubChem CID 101171640) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
PubChem CID101171640
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC(O)COc1cccc2c1OC(C)(C)C2)C(C)C
InChIInChI=1S/C19H31NO3/c1-13(2)20(14(3)4)11-16(21)12-22-17-9-7-8-15-10-19(5,6)23-18(15)17/h7-9,13-14,16,21H,10-12H2,1-6H3
InChIKeyLXGVILNUAVOYNT-UHFFFAOYSA-N
XLogP3.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(oxan-4-yloxy)propan-2-ol
CID 124588927
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-bis(2-methylpropyl)acetamide
CID 8551074
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]butane-1-sulfonyl chloride
CID 64999700
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 6363302
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]propane-2-sulfonamide
CID 90578736
1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
CID 63914242
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propan-2-ylamino)butan-1-ol
CID 64804395

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol (CID 101171640) is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol is CC(C)N(CC(O)COc1cccc2c1OC(C)(C)C2)C(C)C.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol?
The InChIKey is LXGVILNUAVOYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-13(2)20(14(3)4)11-16(21)12-22-17-9-7-8-15-10-19(5,6)23-18(15)17/h7-9,13-14,16,21H,10-12H2,1-6H3.
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol?
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol has a molecular weight of 321.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 101171640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).