4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine

C21H27NO2 — CID 39844404

IUPAC4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
SMILESCCO[C@@H](C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-24-21(19-11-7-4-8-12-19)17-20(18-9-5-3-6-10-18)22-13-15-23-16-14-22/h3-12,20-21H,2,13-17H2,1H3/t20-,21-/m0/s1
InChIKeyBOWMTRHOSGVIPZ-SFTDATJTSA-N
MW325.45 g/mol
LogP4.23
Rot. Bonds7

About 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine

4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine (PubChem CID 39844404) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine.

Molecular Properties

Compound Name4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
PubChem CID39844404
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
SMILESCCO[C@@H](C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-24-21(19-11-7-4-8-12-19)17-20(18-9-5-3-6-10-18)22-13-15-23-16-14-22/h3-12,20-21H,2,13-17H2,1H3/t20-,21-/m0/s1
InChIKeyBOWMTRHOSGVIPZ-SFTDATJTSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine
CID 10085673
triethoxy-(2-morpholin-4-yl-2-phenylethyl)silane
CID 68744744
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine
CID 10071140
4-(3-carbazol-9-yl-1-phenylbutyl)morpholine
CID 4602727
5-morpholin-4-yl-5-phenylpentan-2-one
CID 67114614
[(1R,3R)-1-bromo-3-ethoxy-3-phenylpropyl]benzene
CID 23248017
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid
CID 90781892
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 112503607

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine?
The IUPAC name of 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine (CID 39844404) is 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine.
What is the SMILES notation for 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine?
The canonical SMILES for 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine is CCO[C@@H](C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine?
The InChIKey is BOWMTRHOSGVIPZ-SFTDATJTSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-24-21(19-11-7-4-8-12-19)17-20(18-9-5-3-6-10-18)22-13-15-23-16-14-22/h3-12,20-21H,2,13-17H2,1H3/t20-,21-/m0/s1.
What are the key properties of 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine?
4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine has a molecular weight of 325.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine is sourced from PubChem (CID 39844404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).