4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine

C20H25NO3 — CID 142066874

IUPAC4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine
SMILESCOc1cccc(COC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H25NO3/c1-16(24-15-17-4-3-5-20(14-17)22-2)18-6-8-19(9-7-18)21-10-12-23-13-11-21/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyNNEWXMFDQBYBJZ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.81
Rot. Bonds6

About 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine

4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine (PubChem CID 142066874) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine
PubChem CID142066874
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine
SMILESCOc1cccc(COC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H25NO3/c1-16(24-15-17-4-3-5-20(14-17)22-2)18-6-8-19(9-7-18)21-10-12-23-13-11-21/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyNNEWXMFDQBYBJZ-UHFFFAOYSA-N
XLogP3.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine
CID 60604434
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
2-[(3-methoxyphenyl)methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2404248
2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60590030
5-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-2-amine
CID 167465944
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-[[4-[N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylanilino]phenyl]methyl]piperazine-2,5-dione
CID 175547191
4-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]-1,4-oxazepane
CID 136569391
1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene
CID 62112704
3-[2-[4-[(3-methoxyphenyl)methyl-[(4-morpholin-4-ylphenyl)methyl]amino]phenoxy]ethoxy]-N,N-dimethylaniline
CID 167465570
3-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[(3-morpholin-4-ylphenyl)methyl]aniline
CID 167465905

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine?
The IUPAC name of 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine (CID 142066874) is 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine is COc1cccc(COC(C)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine?
The InChIKey is NNEWXMFDQBYBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16(24-15-17-4-3-5-20(14-17)22-2)18-6-8-19(9-7-18)21-10-12-23-13-11-21/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine?
4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine has a molecular weight of 327.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(3-methoxyphenyl)methoxy]ethyl]phenyl]morpholine is sourced from PubChem (CID 142066874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).