1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol

C21H27ClN2O3 — CID 19760370

IUPAC1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol
SMILESCCOC1COc2ncc(CC(C)(C)NCC(O)c3cccc(Cl)c3)cc21
InChIInChI=1S/C21H27ClN2O3/c1-4-26-19-13-27-20-17(19)8-14(11-23-20)10-21(2,3)24-12-18(25)15-6-5-7-16(22)9-15/h5-9,11,18-19,24-25H,4,10,12-13H2,1-3H3
InChIKeyRKHWCIXMYNRNFX-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.85
Rot. Bonds8

About 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol

1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol (PubChem CID 19760370) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol
PubChem CID19760370
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol
SMILESCCOC1COc2ncc(CC(C)(C)NCC(O)c3cccc(Cl)c3)cc21
InChIInChI=1S/C21H27ClN2O3/c1-4-26-19-13-27-20-17(19)8-14(11-23-20)10-21(2,3)24-12-18(25)15-6-5-7-16(22)9-15/h5-9,11,18-19,24-25H,4,10,12-13H2,1-3H3
InChIKeyRKHWCIXMYNRNFX-UHFFFAOYSA-N
XLogP3.85
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol (CID 19760370) is 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol is CCOC1COc2ncc(CC(C)(C)NCC(O)c3cccc(Cl)c3)cc21.
What is the InChIKey of 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol?
The InChIKey is RKHWCIXMYNRNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-4-26-19-13-27-20-17(19)8-14(11-23-20)10-21(2,3)24-12-18(25)15-6-5-7-16(22)9-15/h5-9,11,18-19,24-25H,4,10,12-13H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol?
1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol has a molecular weight of 390.91 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[[1-(3-ethoxy-2,3-dihydrofuro[2,3-b]pyridin-5-yl)-2-methylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 19760370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).