4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine

C22H29NO3 — CID 158220581

IUPAC4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine
SMILESCOc1cccc([C@@H](C)CCC2COCCN2c2cccc(OC)c2)c1
InChIInChI=1S/C22H29NO3/c1-17(18-6-4-8-21(14-18)24-2)10-11-20-16-26-13-12-23(20)19-7-5-9-22(15-19)25-3/h4-9,14-15,17,20H,10-13,16H2,1-3H3/t17-,20?/m0/s1
InChIKeyGDEQCGLJMAIUEK-DIMJTDRSSA-N
MW355.48 g/mol
LogP4.49
Rot. Bonds7

About 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine

4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine (PubChem CID 158220581) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine
PubChem CID158220581
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine
SMILESCOc1cccc([C@@H](C)CCC2COCCN2c2cccc(OC)c2)c1
InChIInChI=1S/C22H29NO3/c1-17(18-6-4-8-21(14-18)24-2)10-11-20-16-26-13-12-23(20)19-7-5-9-22(15-19)25-3/h4-9,14-15,17,20H,10-13,16H2,1-3H3/t17-,20?/m0/s1
InChIKeyGDEQCGLJMAIUEK-DIMJTDRSSA-N
XLogP4.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-fluorophenyl)morpholin-3-yl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 72679887
N-[[4-(3-methoxyphenyl)morpholin-3-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 72679840
4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride
CID 159818767
[4-(4-methoxyphenyl)morpholin-3-yl]methanol
CID 117009227
(5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one
CID 162237882
[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone
CID 72680064
(3R)-3-(methoxymethyl)-4-phenylmorpholine
CID 173472557
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride
CID 159891151
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine?
The IUPAC name of 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine (CID 158220581) is 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine?
The canonical SMILES for 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine is COc1cccc([C@@H](C)CCC2COCCN2c2cccc(OC)c2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine?
The InChIKey is GDEQCGLJMAIUEK-DIMJTDRSSA-N. The full InChI is InChI=1S/C22H29NO3/c1-17(18-6-4-8-21(14-18)24-2)10-11-20-16-26-13-12-23(20)19-7-5-9-22(15-19)25-3/h4-9,14-15,17,20H,10-13,16H2,1-3H3/t17-,20?/m0/s1.
What are the key properties of 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine?
4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine has a molecular weight of 355.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine is sourced from PubChem (CID 158220581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).