[5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C18H20BrNO4 — CID 2942175

IUPAC[5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccccc3Br)o2)CC(C)O1
InChIInChI=1S/C18H20BrNO4/c1-12-9-20(10-13(2)23-12)18(21)17-8-7-14(24-17)11-22-16-6-4-3-5-15(16)19/h3-8,12-13H,9-11H2,1-2H3
InChIKeyYDIAQXXPUOPJHU-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.87
Rot. Bonds4

About [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2942175) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2942175
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name[5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccccc3Br)o2)CC(C)O1
InChIInChI=1S/C18H20BrNO4/c1-12-9-20(10-13(2)23-12)18(21)17-8-7-14(24-17)11-22-16-6-4-3-5-15(16)19/h3-8,12-13H,9-11H2,1-2H3
InChIKeyYDIAQXXPUOPJHU-UHFFFAOYSA-N
XLogP3.87
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholin-4-yl-(5-m-tolyloxymethyl-furan-2-yl)-methanone
CID 6459121
(2,6-Dimethylmorpholin-4-yl){5-[(2-methylphenoxy)methyl]furan-2-yl}methanone
CID 6460285
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
1-{5-[(4-Ethoxyphenoxy)methyl]-2-furoyl}pyrrolidine
CID 892182
5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 1269619
5-[(2-bromophenoxy)methyl]-N-(tert-butyl)-2-furamide
CID 1269680
4-{5-[(2-Methoxyphenoxy)methyl]-2-furoyl}morpholine
CID 2193011
4-{5-[(4-Isopropylphenoxy)methyl]-2-furoyl}-2,6-dimethylmorpholine
CID 2941555
5-[(2-methoxyphenoxy)methyl]-N,N-dimethyl-2-furamide
CID 4170344
1-{5-[(4-Ethoxyphenoxy)methyl]-2-furoyl}piperidine
CID 891661
[5-(2-Methoxy-phenoxymethyl)-furan-2-yl]-piperidin-1-yl-methanone
CID 1084341
5-[(2-bromophenoxy)methyl]-N,N-diethyl-2-furamide
CID 1269686

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 2942175) is [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(COc3ccccc3Br)o2)CC(C)O1.
What is the InChIKey of [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is YDIAQXXPUOPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-12-9-20(10-13(2)23-12)18(21)17-8-7-14(24-17)11-22-16-6-4-3-5-15(16)19/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 394.27 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2942175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).