2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C19H29FN2O2 — CID 118745930

IUPAC2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(CCCN(Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C19H29FN2O2/c1-23-10-8-21-9-11-24-16-19(14-21)6-3-7-22(15-19)13-17-4-2-5-18(20)12-17/h2,4-5,12H,3,6-11,13-16H2,1H3
InChIKeyOXISCRPEGLCRRE-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.39
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118745930) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118745930
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(CCCN(Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C19H29FN2O2/c1-23-10-8-21-9-11-24-16-19(14-21)6-3-7-22(15-19)13-17-4-2-5-18(20)12-17/h2,4-5,12H,3,6-11,13-16H2,1H3
InChIKeyOXISCRPEGLCRRE-UHFFFAOYSA-N
XLogP2.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

[8-[(3,4-Difluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921808
[8-(2,5-Difluorobenzyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91921812
[8-(2,4-Difluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922080
3-(4-fluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 118714023
(11-Ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone
CID 118742411
(2-Fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 118745323
2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 118745939
8-(Cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746584
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
10-[(3-Fluorophenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746844
10-[(3-Methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746846
10-Benzyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746958

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118745930) is 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is COCCN1CCOCC2(CCCN(Cc3cccc(F)c3)C2)C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is OXISCRPEGLCRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-23-10-8-21-9-11-24-16-19(14-21)6-3-7-22(15-19)13-17-4-2-5-18(20)12-17/h2,4-5,12H,3,6-11,13-16H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 336.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118745930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).