N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine

C16H24F2N2O — CID 79662548

IUPACN-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1CN(CC)CCO1
InChIInChI=1S/C16H24F2N2O/c1-3-8-19-16(14-11-20(4-2)9-10-21-14)15-12(17)6-5-7-13(15)18/h5-7,14,16,19H,3-4,8-11H2,1-2H3
InChIKeyIEODATQMDOAVFX-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.73
Rot. Bonds6

About N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79662548) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79662548
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1CN(CC)CCO1
InChIInChI=1S/C16H24F2N2O/c1-3-8-19-16(14-11-20(4-2)9-10-21-14)15-12(17)6-5-7-13(15)18/h5-7,14,16,19H,3-4,8-11H2,1-2H3
InChIKeyIEODATQMDOAVFX-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine (CID 79662548) is N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1c(F)cccc1F)C1CN(CC)CCO1.
What is the InChIKey of N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is IEODATQMDOAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-3-8-19-16(14-11-20(4-2)9-10-21-14)15-12(17)6-5-7-13(15)18/h5-7,14,16,19H,3-4,8-11H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 298.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79662548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).