4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine

C21H32N2O2 — CID 133117277

IUPAC4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
SMILESc1cc(CN2C[C@H]3CCC[C@@H](C3)C2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H32N2O2/c1-3-18-13-19(4-1)16-23(15-18)17-20-5-2-6-21(14-20)25-12-9-22-7-10-24-11-8-22/h2,5-6,14,18-19H,1,3-4,7-13,15-17H2/t18-,19-/m0/s1
InChIKeyYTFBRJBPNFRNKA-OALUTQOASA-N
MW344.50 g/mol
LogP3.02
Rot. Bonds6

About 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine

4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine (PubChem CID 133117277) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
PubChem CID133117277
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
SMILESc1cc(CN2C[C@H]3CCC[C@@H](C3)C2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H32N2O2/c1-3-18-13-19(4-1)16-23(15-18)17-20-5-2-6-21(14-20)25-12-9-22-7-10-24-11-8-22/h2,5-6,14,18-19H,1,3-4,7-13,15-17H2/t18-,19-/m0/s1
InChIKeyYTFBRJBPNFRNKA-OALUTQOASA-N
XLogP3.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine with MolForge

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Related Compounds

4-[2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]phenoxy]ethyl]morpholine
CID 77084965
4-[2-[3-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 99926332
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 91839442
4-[3-[3-[[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]phenoxy]propyl]morpholine
CID 99928489
(3aS,6aR)-2-[[3-(4-morpholin-4-ylbutoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol;formic acid
CID 154921317
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
[(3aR,7aR)-2-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137337059
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine (CID 133117277) is 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine is c1cc(CN2C[C@H]3CCC[C@@H](C3)C2)cc(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine?
The InChIKey is YTFBRJBPNFRNKA-OALUTQOASA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-18-13-19(4-1)16-23(15-18)17-20-5-2-6-21(14-20)25-12-9-22-7-10-24-11-8-22/h2,5-6,14,18-19H,1,3-4,7-13,15-17H2/t18-,19-/m0/s1.
What are the key properties of 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine?
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine has a molecular weight of 344.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 133117277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).