5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline

C14H21FN2O2 — CID 107259104

IUPAC5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline
SMILESCOc1cc(N2CC(C)OC(C)(C)C2)c(F)cc1N
InChIInChI=1S/C14H21FN2O2/c1-9-7-17(8-14(2,3)19-9)12-6-13(18-4)11(16)5-10(12)15/h5-6,9H,7-8,16H2,1-4H3
InChIKeySNADCHWUFIKRFJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.42
Rot. Bonds2

About 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline

5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline (PubChem CID 107259104) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline
PubChem CID107259104
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline
SMILESCOc1cc(N2CC(C)OC(C)(C)C2)c(F)cc1N
InChIInChI=1S/C14H21FN2O2/c1-9-7-17(8-14(2,3)19-9)12-6-13(18-4)11(16)5-10(12)15/h5-6,9H,7-8,16H2,1-4H3
InChIKeySNADCHWUFIKRFJ-UHFFFAOYSA-N
XLogP2.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methoxy-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 55216847
5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 66077635
4-(3,4-dimethylpiperazin-1-yl)-5-fluoro-2-methoxyaniline
CID 107259252
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-5-fluoro-2-methoxyaniline
CID 107259477
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136
4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258876

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline (CID 107259104) is 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline is COc1cc(N2CC(C)OC(C)(C)C2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline?
The InChIKey is SNADCHWUFIKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9-7-17(8-14(2,3)19-9)12-6-13(18-4)11(16)5-10(12)15/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline?
5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline has a molecular weight of 268.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline is sourced from PubChem (CID 107259104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).