N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine

C15H19ClF3NO — CID 106705961

IUPACN-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
SMILESFC(F)(F)COCC(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClF3NO/c16-14-4-2-1-3-12(14)7-11(8-20-13-5-6-13)9-21-10-15(17,18)19/h1-4,11,13,20H,5-10H2
InChIKeyDEXCEULWEUVBCL-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.83
Rot. Bonds8

About N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine

N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine (PubChem CID 106705961) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
PubChem CID106705961
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC NameN-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
SMILESFC(F)(F)COCC(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClF3NO/c16-14-4-2-1-3-12(14)7-11(8-20-13-5-6-13)9-21-10-15(17,18)19/h1-4,11,13,20H,5-10H2
InChIKeyDEXCEULWEUVBCL-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]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-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine (CID 106705961) is N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine is FC(F)(F)COCC(CNC1CC1)Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The InChIKey is DEXCEULWEUVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c16-14-4-2-1-3-12(14)7-11(8-20-13-5-6-13)9-21-10-15(17,18)19/h1-4,11,13,20H,5-10H2.
What are the key properties of N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine has a molecular weight of 321.77 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine is sourced from PubChem (CID 106705961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).