2-(cyclopentyloxymethyl)-3-fluoroaniline

C12H16FNO — CID 63331594

IUPAC2-(cyclopentyloxymethyl)-3-fluoroaniline
SMILESNc1cccc(F)c1COC1CCCC1
InChIInChI=1S/C12H16FNO/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2
InChIKeyNCFVZWVICSSTJJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.87
Rot. Bonds3

About 2-(cyclopentyloxymethyl)-3-fluoroaniline

2-(cyclopentyloxymethyl)-3-fluoroaniline (PubChem CID 63331594) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-3-fluoroaniline
PubChem CID63331594
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(cyclopentyloxymethyl)-3-fluoroaniline
SMILESNc1cccc(F)c1COC1CCCC1
InChIInChI=1S/C12H16FNO/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2
InChIKeyNCFVZWVICSSTJJ-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.87
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 2-(cyclopentyloxymethyl)-3-fluoroaniline?
The IUPAC name of 2-(cyclopentyloxymethyl)-3-fluoroaniline (CID 63331594) is 2-(cyclopentyloxymethyl)-3-fluoroaniline.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-3-fluoroaniline?
The canonical SMILES for 2-(cyclopentyloxymethyl)-3-fluoroaniline is Nc1cccc(F)c1COC1CCCC1.
What is the InChIKey of 2-(cyclopentyloxymethyl)-3-fluoroaniline?
The InChIKey is NCFVZWVICSSTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2.
What are the key properties of 2-(cyclopentyloxymethyl)-3-fluoroaniline?
2-(cyclopentyloxymethyl)-3-fluoroaniline has a molecular weight of 209.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)-3-fluoroaniline is sourced from PubChem (CID 63331594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).