(1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol

C18H26FNO2 — CID 124614869

IUPAC(1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@H](O)C12CCN(Cc1cc(F)ccc1C)CC2
InChIInChI=1S/C18H26FNO2/c1-3-22-17-11-16(21)18(17)6-8-20(9-7-18)12-14-10-15(19)5-4-13(14)2/h4-5,10,16-17,21H,3,6-9,11-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyFGAXHXUIWLSKIJ-IRXDYDNUSA-N
MW307.41 g/mol
LogP2.89
Rot. Bonds4

About (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol

(1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 124614869) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID124614869
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name(1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@H](O)C12CCN(Cc1cc(F)ccc1C)CC2
InChIInChI=1S/C18H26FNO2/c1-3-22-17-11-16(21)18(17)6-8-20(9-7-18)12-14-10-15(19)5-4-13(14)2/h4-5,10,16-17,21H,3,6-9,11-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyFGAXHXUIWLSKIJ-IRXDYDNUSA-N
XLogP2.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{1-[2-(Trifluoromethyl)benzyl]-4-piperidyl}-1-ethanol
CID 53193303
rel-(1R,3S)-3-(2-aminoethoxy)-7-(2,6-difluorobenzyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 70712847
(1R*,3S*)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72884205
[1-(4-Fluoro-2-methylbenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91774205
7-[(3,4-Difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197972
3-Methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonane
CID 124075330
(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70740408
2-[(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile
CID 110197971
2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol
CID 71155880
2-{[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile
CID 70712113
7-[1-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72127511
(1R*,3S*)-7-(3-methylbenzyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72910769

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol (CID 124614869) is (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol is CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(F)ccc1C)CC2.
What is the InChIKey of (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is FGAXHXUIWLSKIJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-3-22-17-11-16(21)18(17)6-8-20(9-7-18)12-14-10-15(19)5-4-13(14)2/h4-5,10,16-17,21H,3,6-9,11-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol?
(1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 307.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 124614869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).