N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

C15H19F2NO2 — CID 62784526

IUPACN-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(OCC2CCC(CNC3CC3)O2)c1
InChIInChI=1S/C15H19F2NO2/c16-10-5-11(17)7-15(6-10)19-9-14-4-3-13(20-14)8-18-12-1-2-12/h5-7,12-14,18H,1-4,8-9H2
InChIKeyUWDMCDJYCIFSHU-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.64
Rot. Bonds6

About N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62784526) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62784526
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(OCC2CCC(CNC3CC3)O2)c1
InChIInChI=1S/C15H19F2NO2/c16-10-5-11(17)7-15(6-10)19-9-14-4-3-13(20-14)8-18-12-1-2-12/h5-7,12-14,18H,1-4,8-9H2
InChIKeyUWDMCDJYCIFSHU-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62784526) is N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is Fc1cc(F)cc(OCC2CCC(CNC3CC3)O2)c1.
What is the InChIKey of N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is UWDMCDJYCIFSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-10-5-11(17)7-15(6-10)19-9-14-4-3-13(20-14)8-18-12-1-2-12/h5-7,12-14,18H,1-4,8-9H2.
What are the key properties of N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 283.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62784526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).