1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine

C16H24F2N2O — CID 63786633

IUPAC1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(N2CC(C)OCC2C)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-4-13(19)5-12-6-14(17)16(15(18)7-12)20-8-11(3)21-9-10(20)2/h6-7,10-11,13H,4-5,8-9,19H2,1-3H3
InChIKeyWUIQEGHUZKYWTK-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.86
Rot. Bonds4

About 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine

1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine (PubChem CID 63786633) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine
PubChem CID63786633
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(N2CC(C)OCC2C)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-4-13(19)5-12-6-14(17)16(15(18)7-12)20-8-11(3)21-9-10(20)2/h6-7,10-11,13H,4-5,8-9,19H2,1-3H3
InChIKeyWUIQEGHUZKYWTK-UHFFFAOYSA-N
XLogP2.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine?
The IUPAC name of 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine (CID 63786633) is 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)c(N2CC(C)OCC2C)c(F)c1.
What is the InChIKey of 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine?
The InChIKey is WUIQEGHUZKYWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-4-13(19)5-12-6-14(17)16(15(18)7-12)20-8-11(3)21-9-10(20)2/h6-7,10-11,13H,4-5,8-9,19H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine?
1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine has a molecular weight of 298.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine is sourced from PubChem (CID 63786633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).