(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine

C17H27FN2O — CID 102744273

IUPAC(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
SMILESCc1cc(N2CC(C)(C)OC(C)(C)C2)c([C@@H](C)N)cc1F
InChIInChI=1S/C17H27FN2O/c1-11-7-15(13(12(2)19)8-14(11)18)20-9-16(3,4)21-17(5,6)10-20/h7-8,12H,9-10,19H2,1-6H3/t12-/m1/s1
InChIKeyDGRVWCKGTQFPTJ-GFCCVEGCSA-N
MW294.41 g/mol
LogP3.55
Rot. Bonds2

About (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine

(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 102744273) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
PubChem CID102744273
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
SMILESCc1cc(N2CC(C)(C)OC(C)(C)C2)c([C@@H](C)N)cc1F
InChIInChI=1S/C17H27FN2O/c1-11-7-15(13(12(2)19)8-14(11)18)20-9-16(3,4)21-17(5,6)10-20/h7-8,12H,9-10,19H2,1-6H3/t12-/m1/s1
InChIKeyDGRVWCKGTQFPTJ-GFCCVEGCSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine (CID 102744273) is (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine is Cc1cc(N2CC(C)(C)OC(C)(C)C2)c([C@@H](C)N)cc1F.
What is the InChIKey of (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is DGRVWCKGTQFPTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-11-7-15(13(12(2)19)8-14(11)18)20-9-16(3,4)21-17(5,6)10-20/h7-8,12H,9-10,19H2,1-6H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine?
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 294.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 102744273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).