(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol

C19H24N2O3 — CID 6363302

IUPAC(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCC1(C)Cc2cccc(OC[C@H](O)CNCc3ccccn3)c2O1
InChIInChI=1S/C19H24N2O3/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15/h3-9,16,20,22H,10-13H2,1-2H3/t16-/m1/s1
InChIKeyQEWSBKDMGYPSBU-MRXNPFEDSA-N
MW328.41 g/mol
LogP2.32
Rot. Bonds7

About (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol

(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 6363302) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID6363302
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCC1(C)Cc2cccc(OC[C@H](O)CNCc3ccccn3)c2O1
InChIInChI=1S/C19H24N2O3/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15/h3-9,16,20,22H,10-13H2,1-2H3/t16-/m1/s1
InChIKeyQEWSBKDMGYPSBU-MRXNPFEDSA-N
XLogP2.32
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)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
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 110906838
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
CID 101171640
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
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
4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
CID 79256209
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
CID 63914242

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 6363302) is (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol is CC1(C)Cc2cccc(OC[C@H](O)CNCc3ccccn3)c2O1.
What is the InChIKey of (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is QEWSBKDMGYPSBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15/h3-9,16,20,22H,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol?
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 6363302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).