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

C24H32N2O2 — CID 70734220

IUPAC(1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(CC(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H32N2O2/c25-13-16-28-23-17-22(27)24(23)11-14-26(15-12-24)18-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23,27H,11-18,25H2/t22-,23+/m1/s1
InChIKeyMBQAGVLEHMBBGS-PKTZIBPZSA-N
MW380.53 g/mol
LogP3.01
Rot. Bonds7

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

(1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 70734220) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID70734220
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(CC(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H32N2O2/c25-13-16-28-23-17-22(27)24(23)11-14-26(15-12-24)18-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23,27H,11-18,25H2/t22-,23+/m1/s1
InChIKeyMBQAGVLEHMBBGS-PKTZIBPZSA-N
XLogP3.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol with MolForge

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Related Compounds

3-Hexanol, 4,4-diphenyl-6-morpholino-, hydrochloride
CID 44681
4-Morpholineethanol, alpha-(2,2-diphenylethyl)-
CID 120874
Hexane, 3-propionoxy-4,4-diphenyl-6-morpholino-, hydrochloride
CID 44822
4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate
CID 49619
1-(Morpholin-4-yl)-4,4-diphenylbutan-2-ol--hydrogen chloride (1/1)
CID 120875
rel-(1R,3S)-3-(2-aminoethoxy)-7-(2,6-difluorobenzyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 70712847
(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 70716941
1-(4-Amino-3,3-diphenylbutyl)piperidin-4-ol
CID 155553417
(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70740408
(3R)-5,5-diphenylpiperidin-3-ol
CID 138980849
6-Morpholin-4-yl-4,4-diphenylhexan-3-ol
CID 44682
1-[Ethyl(methyl)amino]-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol;morpholine
CID 19823809

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol (CID 70734220) is (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol is NCCO[C@H]1C[C@@H](O)C12CCN(CC(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is MBQAGVLEHMBBGS-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H32N2O2/c25-13-16-28-23-17-22(27)24(23)11-14-26(15-12-24)18-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23,27H,11-18,25H2/t22-,23+/m1/s1.
What are the key properties of (1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 380.53 g/mol, XLogP of 3.01, 7 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-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 70734220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).