cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium

C14H20F2N+ — CID 7242839

IUPACcyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium
SMILESCCC[NH+](Cc1c(F)cccc1F)CC1CC1
InChIInChI=1S/C14H19F2N/c1-2-8-17(9-11-6-7-11)10-12-13(15)4-3-5-14(12)16/h3-5,11H,2,6-10H2,1H3/p+1
InChIKeyKGLSVSJAGOESQY-UHFFFAOYSA-O
MW240.32 g/mol
LogP2.17
Rot. Bonds6

About cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium

cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium (PubChem CID 7242839) has the molecular formula C14H20F2N+ and a molecular weight of 240.32 g/mol. Its IUPAC name is cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium.

Molecular Properties

Compound Namecyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium
PubChem CID7242839
Molecular FormulaC14H20F2N+
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Namecyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium
SMILESCCC[NH+](Cc1c(F)cccc1F)CC1CC1
InChIInChI=1S/C14H19F2N/c1-2-8-17(9-11-6-7-11)10-12-13(15)4-3-5-14(12)16/h3-5,11H,2,6-10H2,1H3/p+1
InChIKeyKGLSVSJAGOESQY-UHFFFAOYSA-O
XLogP2.17
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium 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 cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium?
The IUPAC name of cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium (CID 7242839) is cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium.
What is the SMILES notation for cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium?
The canonical SMILES for cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium is CCC[NH+](Cc1c(F)cccc1F)CC1CC1.
What is the InChIKey of cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium?
The InChIKey is KGLSVSJAGOESQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19F2N/c1-2-8-17(9-11-6-7-11)10-12-13(15)4-3-5-14(12)16/h3-5,11H,2,6-10H2,1H3/p+1.
What are the key properties of cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium?
cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium has a molecular weight of 240.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[(2,6-difluorophenyl)methyl]-propylazanium is sourced from PubChem (CID 7242839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).