1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine

C16H25FN2O — CID 104959064

IUPAC1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-5-18-13(4)14-6-7-16(15(17)8-14)19-9-11(2)20-12(3)10-19/h6-8,11-13,18H,5,9-10H2,1-4H3/t11-,12+,13?
InChIKeyQRSVVDLRLXOZEU-FUNVUKJBSA-N
MW280.39 g/mol
LogP3.11
Rot. Bonds4

About 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine

1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine (PubChem CID 104959064) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
PubChem CID104959064
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-5-18-13(4)14-6-7-16(15(17)8-14)19-9-11(2)20-12(3)10-19/h6-8,11-13,18H,5,9-10H2,1-4H3/t11-,12+,13?
InChIKeyQRSVVDLRLXOZEU-FUNVUKJBSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,3-dihydroisoindol-2-yl)-3-fluorophenyl]-N-ethylethanamine
CID 62205579
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106669966
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283969
1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
CID 43283894
1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]-N-ethylethanamine
CID 65281352
[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781778
1-[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63533117
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine (CID 104959064) is 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1.
What is the InChIKey of 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine?
The InChIKey is QRSVVDLRLXOZEU-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-18-13(4)14-6-7-16(15(17)8-14)19-9-11(2)20-12(3)10-19/h6-8,11-13,18H,5,9-10H2,1-4H3/t11-,12+,13?.
What are the key properties of 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine?
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine has a molecular weight of 280.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 104959064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).