4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline

C17H17F2NO — CID 66997224

IUPAC4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline
SMILESNc1c(F)cc(-c2cccc(OC3CCCC3)c2)cc1F
InChIInChI=1S/C17H17F2NO/c18-15-9-12(10-16(19)17(15)20)11-4-3-7-14(8-11)21-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,20H2
InChIKeyGGCRIUNMPJUODQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.54
Rot. Bonds3

About 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline

4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline (PubChem CID 66997224) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline
PubChem CID66997224
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline
SMILESNc1c(F)cc(-c2cccc(OC3CCCC3)c2)cc1F
InChIInChI=1S/C17H17F2NO/c18-15-9-12(10-16(19)17(15)20)11-4-3-7-14(8-11)21-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,20H2
InChIKeyGGCRIUNMPJUODQ-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline?
The IUPAC name of 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline (CID 66997224) is 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline.
What is the SMILES notation for 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline?
The canonical SMILES for 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline is Nc1c(F)cc(-c2cccc(OC3CCCC3)c2)cc1F.
What is the InChIKey of 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline?
The InChIKey is GGCRIUNMPJUODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-15-9-12(10-16(19)17(15)20)11-4-3-7-14(8-11)21-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,20H2.
What are the key properties of 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline?
4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline has a molecular weight of 289.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline is sourced from PubChem (CID 66997224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).