(5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane

C15H20FNO2 — CID 110159354

IUPAC(5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CN(Cc2ccccc2F)C[C@@]12CCCO2
InChIInChI=1S/C15H20FNO2/c1-18-14-10-17(11-15(14)7-4-8-19-15)9-12-5-2-3-6-13(12)16/h2-3,5-6,14H,4,7-11H2,1H3/t14-,15-/m0/s1
InChIKeyAUXIPTNMPPWUKI-GJZGRUSLSA-N
MW265.33 g/mol
LogP2.21
Rot. Bonds3

About (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane

(5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 110159354) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID110159354
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CN(Cc2ccccc2F)C[C@@]12CCCO2
InChIInChI=1S/C15H20FNO2/c1-18-14-10-17(11-15(14)7-4-8-19-15)9-12-5-2-3-6-13(12)16/h2-3,5-6,14H,4,7-11H2,1H3/t14-,15-/m0/s1
InChIKeyAUXIPTNMPPWUKI-GJZGRUSLSA-N
XLogP2.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane 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

(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156017
(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156319
(5S,9S)-7-[(3,4-difluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 118740349
3-Ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742391
8-[(2-Fluorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743845
3-Ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743998
1-[(4-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
CID 24713122
1-[(4-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713378
[(2,4-Difluorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl][(oxolan-2-YL)methyl]amine
CID 46007328
N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine
CID 86799734
2-(3-Fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine
CID 58334510
(2R)-2-(4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidine
CID 66690998

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane (CID 110159354) is (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane is CO[C@H]1CN(Cc2ccccc2F)C[C@@]12CCCO2.
What is the InChIKey of (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is AUXIPTNMPPWUKI-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-18-14-10-17(11-15(14)7-4-8-19-15)9-12-5-2-3-6-13(12)16/h2-3,5-6,14H,4,7-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
(5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 265.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 110159354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).