3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine

C13H18F2N2O — CID 69312368

IUPAC3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
SMILESNCCC(c1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C13H18F2N2O/c14-10-1-2-12(15)11(9-10)13(3-4-16)17-5-7-18-8-6-17/h1-2,9,13H,3-8,16H2
InChIKeyBCPSUKSHBSPFCF-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.69
Rot. Bonds4

About 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine

3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 69312368) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID69312368
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
SMILESNCCC(c1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C13H18F2N2O/c14-10-1-2-12(15)11(9-10)13(3-4-16)17-5-7-18-8-6-17/h1-2,9,13H,3-8,16H2
InChIKeyBCPSUKSHBSPFCF-UHFFFAOYSA-N
XLogP1.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine (CID 69312368) is 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine is NCCC(c1cc(F)ccc1F)N1CCOCC1.
What is the InChIKey of 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is BCPSUKSHBSPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-10-1-2-12(15)11(9-10)13(3-4-16)17-5-7-18-8-6-17/h1-2,9,13H,3-8,16H2.
What are the key properties of 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine?
3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 256.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 69312368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).