N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine

C14H17F2N — CID 116992767

IUPACN-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(c1cccc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C14H17F2N/c15-14(16,11-4-5-11)12-3-1-2-10(8-12)9-17-13-6-7-13/h1-3,8,11,13,17H,4-7,9H2
InChIKeyUAHJQOYTKGCZMC-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.44
Rot. Bonds5

About N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine

N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 116992767) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
PubChem CID116992767
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC NameN-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(c1cccc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C14H17F2N/c15-14(16,11-4-5-11)12-3-1-2-10(8-12)9-17-13-6-7-13/h1-3,8,11,13,17H,4-7,9H2
InChIKeyUAHJQOYTKGCZMC-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-[cyclopropyl(difluoro)methyl]phenyl]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-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine (CID 116992767) is N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine is FC(F)(c1cccc(CNC2CC2)c1)C1CC1.
What is the InChIKey of N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is UAHJQOYTKGCZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-14(16,11-4-5-11)12-3-1-2-10(8-12)9-17-13-6-7-13/h1-3,8,11,13,17H,4-7,9H2.
What are the key properties of N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 237.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 116992767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).