4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine

C19H22INO3 — CID 11328099

IUPAC4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine
SMILESCOc1cc(I)ccc1OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H22INO3/c1-22-19-11-16(20)7-8-18(19)24-14-17-13-21(9-10-23-17)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3
InChIKeyZUEUSOPEOZVFIR-UHFFFAOYSA-N
MW439.29 g/mol
LogP3.58
Rot. Bonds6

About 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine

4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine (PubChem CID 11328099) has the molecular formula C19H22INO3 and a molecular weight of 439.29 g/mol. Its IUPAC name is 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine
PubChem CID11328099
Molecular FormulaC19H22INO3
Molecular Weight439.29 g/mol
Exact Mass439.06
IUPAC Name4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine
SMILESCOc1cc(I)ccc1OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H22INO3/c1-22-19-11-16(20)7-8-18(19)24-14-17-13-21(9-10-23-17)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3
InChIKeyZUEUSOPEOZVFIR-UHFFFAOYSA-N
XLogP3.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Reboxetine
CID 127151
Esreboxetine
CID 65856
Bephenium
CID 19667
2-((2-Ethoxyphenoxy)(phenyl)methyl)morpholine
CID 3022645
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-phenyl-1-ethanamine
CID 2850689
4-[(3,4-Dimethoxyphenyl)methyl]morpholine
CID 782582
4-(4-((1-Isopropylpiperidin-4-yl)oxy)benzyl)morpholine
CID 9858195
Morpholine, 2-((S)-(2-iodophenoxy)phenylmethyl)-, (2S)-
CID 44438485
Morpholine, 4-((2-methoxyphenyl)methyl)-
CID 207116
Mener, (S,S)-C-11
CID 44569759
2-((3-Iodophenyl)(o-tolyloxy)methyl)morpholine
CID 44438489
2-((2-Iodophenoxy)(phenyl)methyl)morpholine
CID 44438550

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine?
The IUPAC name of 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine (CID 11328099) is 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine?
The canonical SMILES for 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine is COc1cc(I)ccc1OCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine?
The InChIKey is ZUEUSOPEOZVFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO3/c1-22-19-11-16(20)7-8-18(19)24-14-17-13-21(9-10-23-17)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3.
What are the key properties of 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine?
4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine has a molecular weight of 439.29 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(4-iodo-2-methoxyphenoxy)methyl]morpholine is sourced from PubChem (CID 11328099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).