1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine

C16H24F2N2O — CID 79051927

IUPAC1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCNC(c1c(F)cccc1F)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H24F2N2O/c1-4-19-15(14-12(17)6-5-7-13(14)18)16(2,3)20-8-10-21-11-9-20/h5-7,15,19H,4,8-11H2,1-3H3
InChIKeyBITXTOSBEBWPIE-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.73
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine

1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 79051927) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID79051927
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCNC(c1c(F)cccc1F)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H24F2N2O/c1-4-19-15(14-12(17)6-5-7-13(14)18)16(2,3)20-8-10-21-11-9-20/h5-7,15,19H,4,8-11H2,1-3H3
InChIKeyBITXTOSBEBWPIE-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79052030
N-ethyl-2-methyl-2-morpholin-4-yl-1-thiophen-2-ylpropan-1-amine
CID 79052246
N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051761
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051186
N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052240
3-[1-(ethylamino)-2-methyl-2-morpholin-4-ylpropyl]pyridin-2-amine
CID 79052607
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106653578
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723
N-ethyl-2-methyl-2-morpholin-4-yl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051327
N-ethyl-1-(furan-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 83176070
N,2-dimethyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79050725
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
CID 79050582

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 79051927) is 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine is CCNC(c1c(F)cccc1F)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is BITXTOSBEBWPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-4-19-15(14-12(17)6-5-7-13(14)18)16(2,3)20-8-10-21-11-9-20/h5-7,15,19H,4,8-11H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 298.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 79051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).