(1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol

C17H24F2N2O2 — CID 70712847

IUPAC(1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C17H24F2N2O2/c18-13-2-1-3-14(19)12(13)11-21-7-4-17(5-8-21)15(22)10-16(17)23-9-6-20/h1-3,15-16,22H,4-11,20H2/t15-,16+/m1/s1
InChIKeyAINNHMQYVQOPBN-CVEARBPZSA-N
MW326.39 g/mol
LogP1.66
Rot. Bonds5

About (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 70712847) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID70712847
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C17H24F2N2O2/c18-13-2-1-3-14(19)12(13)11-21-7-4-17(5-8-21)15(22)10-16(17)23-9-6-20/h1-3,15-16,22H,4-11,20H2/t15-,16+/m1/s1
InChIKeyAINNHMQYVQOPBN-CVEARBPZSA-N
XLogP1.66
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol (CID 70712847) is (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol is NCCO[C@H]1C[C@@H](O)C12CCN(Cc1c(F)cccc1F)CC2.
What is the InChIKey of (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is AINNHMQYVQOPBN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c18-13-2-1-3-14(19)12(13)11-21-7-4-17(5-8-21)15(22)10-16(17)23-9-6-20/h1-3,15-16,22H,4-11,20H2/t15-,16+/m1/s1.
What are the key properties of (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 326.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(2-aminoethoxy)-7-[(2,6-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 70712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).