3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine

C14H20F2N2O — CID 54765676

IUPAC3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C14H20F2N2O/c1-17-5-4-14(18-6-8-19-9-7-18)12-3-2-11(15)10-13(12)16/h2-3,10,14,17H,4-9H2,1H3
InChIKeyHFKOIMHFPUBUFE-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.95
Rot. Bonds5

About 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine

3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54765676) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54765676
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C14H20F2N2O/c1-17-5-4-14(18-6-8-19-9-7-18)12-3-2-11(15)10-13(12)16/h2-3,10,14,17H,4-9H2,1H3
InChIKeyHFKOIMHFPUBUFE-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 54765676) is 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine is CNCCC(c1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is HFKOIMHFPUBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-17-5-4-14(18-6-8-19-9-7-18)12-3-2-11(15)10-13(12)16/h2-3,10,14,17H,4-9H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 270.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54765676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).