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

C21H26F2N2O — CID 54765509

IUPACN-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCC(c1ccc(F)cc1F)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H26F2N2O/c1-24(16-17-5-3-2-4-6-17)10-9-21(25-11-13-26-14-12-25)19-8-7-18(22)15-20(19)23/h2-8,15,21H,9-14,16H2,1H3
InChIKeyGPZZVYRXCADSAJ-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.86
Rot. Bonds7

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

N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54765509) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54765509
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCC(c1ccc(F)cc1F)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H26F2N2O/c1-24(16-17-5-3-2-4-6-17)10-9-21(25-11-13-26-14-12-25)19-8-7-18(22)15-20(19)23/h2-8,15,21H,9-14,16H2,1H3
InChIKeyGPZZVYRXCADSAJ-UHFFFAOYSA-N
XLogP3.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 54765509) is N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine is CN(CCC(c1ccc(F)cc1F)N1CCOCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is GPZZVYRXCADSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c1-24(16-17-5-3-2-4-6-17)10-9-21(25-11-13-26-14-12-25)19-8-7-18(22)15-20(19)23/h2-8,15,21H,9-14,16H2,1H3.
What are the key properties of N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 360.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54765509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).