N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H29FN2O — CID 155878318

IUPACN-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(CCF)C1COC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H29FN2O/c1-21(14-10-20)18-15-19(23-16-18)8-12-22(13-9-19)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeyJUICWWHZTSXGRV-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.75
Rot. Bonds6

About N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 155878318) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID155878318
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC NameN-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(CCF)C1COC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C19H29FN2O/c1-21(14-10-20)18-15-19(23-16-18)8-12-22(13-9-19)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeyJUICWWHZTSXGRV-UHFFFAOYSA-N
XLogP2.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine 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

3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764
2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
CID 110131131
3-[[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 97487811
(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97487801
(3R)-8-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371282
N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
CID 97397277
3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071068
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97395102
N-methyl-N-phenyl-8-prop-2-enyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 110131180

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 155878318) is N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(CCF)C1COC2(CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is JUICWWHZTSXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-21(14-10-20)18-15-19(23-16-18)8-12-22(13-9-19)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 320.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 155878318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).