2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline

C15H22FNO — CID 43382240

IUPAC2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline
SMILESCCC1CCCCC1OCc1cc(F)ccc1N
InChIInChI=1S/C15H22FNO/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(16)7-8-14(12)17/h7-9,11,15H,2-6,10,17H2,1H3
InChIKeyXVARUEBMJNLLGI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.89
Rot. Bonds4

About 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline

2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline (PubChem CID 43382240) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline
PubChem CID43382240
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline
SMILESCCC1CCCCC1OCc1cc(F)ccc1N
InChIInChI=1S/C15H22FNO/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(16)7-8-14(12)17/h7-9,11,15H,2-6,10,17H2,1H3
InChIKeyXVARUEBMJNLLGI-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline 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 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline?
The IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline (CID 43382240) is 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline?
The canonical SMILES for 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline is CCC1CCCCC1OCc1cc(F)ccc1N.
What is the InChIKey of 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline?
The InChIKey is XVARUEBMJNLLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(16)7-8-14(12)17/h7-9,11,15H,2-6,10,17H2,1H3.
What are the key properties of 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline?
2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline has a molecular weight of 251.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)oxymethyl]-4-fluoroaniline is sourced from PubChem (CID 43382240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).