N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline

C18H18F3N — CID 164669787

IUPACN-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2CCCC2c2ccccc2)c1
InChIInChI=1S/C18H18F3N/c19-18(20,21)14-8-4-9-15(12-14)22-17-11-5-10-16(17)13-6-2-1-3-7-13/h1-4,6-9,12,16-17,22H,5,10-11H2
InChIKeyWUCVBOQQORHZBX-UHFFFAOYSA-N
MW305.34 g/mol
LogP5.45
Rot. Bonds3

About N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline

N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline (PubChem CID 164669787) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline
PubChem CID164669787
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC NameN-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2CCCC2c2ccccc2)c1
InChIInChI=1S/C18H18F3N/c19-18(20,21)14-8-4-9-15(12-14)22-17-11-5-10-16(17)13-6-2-1-3-7-13/h1-4,6-9,12,16-17,22H,5,10-11H2
InChIKeyWUCVBOQQORHZBX-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline (CID 164669787) is N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NC2CCCC2c2ccccc2)c1.
What is the InChIKey of N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline?
The InChIKey is WUCVBOQQORHZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c19-18(20,21)14-8-4-9-15(12-14)22-17-11-5-10-16(17)13-6-2-1-3-7-13/h1-4,6-9,12,16-17,22H,5,10-11H2.
What are the key properties of N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline?
N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline has a molecular weight of 305.34 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopentyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 164669787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).