2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine

C16H25NO2S — CID 45205929

IUPAC2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
SMILESCOc1cccc(CC2CN(CCCSC)CCO2)c1
InChIInChI=1S/C16H25NO2S/c1-18-15-6-3-5-14(11-15)12-16-13-17(8-9-19-16)7-4-10-20-2/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3
InChIKeyBWLJRYJURHRPLJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.69
Rot. Bonds7

About 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine

2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine (PubChem CID 45205929) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
PubChem CID45205929
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
SMILESCOc1cccc(CC2CN(CCCSC)CCO2)c1
InChIInChI=1S/C16H25NO2S/c1-18-15-6-3-5-14(11-15)12-16-13-17(8-9-19-16)7-4-10-20-2/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3
InChIKeyBWLJRYJURHRPLJ-UHFFFAOYSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine (CID 45205929) is 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine is COc1cccc(CC2CN(CCCSC)CCO2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine?
The InChIKey is BWLJRYJURHRPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-18-15-6-3-5-14(11-15)12-16-13-17(8-9-19-16)7-4-10-20-2/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine?
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine has a molecular weight of 295.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine is sourced from PubChem (CID 45205929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).