N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine

C17H22F3N — CID 81026989

IUPACN-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(CC2CCCC2CNC2CC2)cc1
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-6-4-12(5-7-15)10-13-2-1-3-14(13)11-21-16-8-9-16/h4-7,13-14,16,21H,1-3,8-11H2
InChIKeyOCEYBFDUKPUSKT-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.42
Rot. Bonds5

About N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine

N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 81026989) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID81026989
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(CC2CCCC2CNC2CC2)cc1
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-6-4-12(5-7-15)10-13-2-1-3-14(13)11-21-16-8-9-16/h4-7,13-14,16,21H,1-3,8-11H2
InChIKeyOCEYBFDUKPUSKT-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine (CID 81026989) is N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine is FC(F)(F)c1ccc(CC2CCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is OCEYBFDUKPUSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c18-17(19,20)15-6-4-12(5-7-15)10-13-2-1-3-14(13)11-21-16-8-9-16/h4-7,13-14,16,21H,1-3,8-11H2.
What are the key properties of N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 297.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81026989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).