4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine

C15H22FNO3 — CID 77097951

IUPAC4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
SMILESCOc1cc(F)c(CN2CCOC(C)(C)C2)cc1OC
InChIInChI=1S/C15H22FNO3/c1-15(2)10-17(5-6-20-15)9-11-7-13(18-3)14(19-4)8-12(11)16/h7-8H,5-6,9-10H2,1-4H3
InChIKeyLSCBDGIPZLHQTQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.45
Rot. Bonds4

About 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine

4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine (PubChem CID 77097951) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
PubChem CID77097951
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
SMILESCOc1cc(F)c(CN2CCOC(C)(C)C2)cc1OC
InChIInChI=1S/C15H22FNO3/c1-15(2)10-17(5-6-20-15)9-11-7-13(18-3)14(19-4)8-12(11)16/h7-8H,5-6,9-10H2,1-4H3
InChIKeyLSCBDGIPZLHQTQ-UHFFFAOYSA-N
XLogP2.45
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-6,6-dimethylazepan-4-ol
CID 131915575
[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344066
4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789334
2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994241
2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid
CID 77098353
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976791

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine (CID 77097951) is 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine is COc1cc(F)c(CN2CCOC(C)(C)C2)cc1OC.
What is the InChIKey of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine?
The InChIKey is LSCBDGIPZLHQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-15(2)10-17(5-6-20-15)9-11-7-13(18-3)14(19-4)8-12(11)16/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine?
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine has a molecular weight of 283.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 77097951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).