3-(3-ethylcyclohexyl)oxy-5-fluoroaniline

C14H20FNO — CID 80752534

IUPAC3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
SMILESCCC1CCCC(Oc2cc(N)cc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-2-10-4-3-5-13(6-10)17-14-8-11(15)7-12(16)9-14/h7-10,13H,2-6,16H2,1H3
InChIKeyLURGTGKWBBLJKK-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.76
Rot. Bonds3

About 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline

3-(3-ethylcyclohexyl)oxy-5-fluoroaniline (PubChem CID 80752534) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
PubChem CID80752534
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
SMILESCCC1CCCC(Oc2cc(N)cc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-2-10-4-3-5-13(6-10)17-14-8-11(15)7-12(16)9-14/h7-10,13H,2-6,16H2,1H3
InChIKeyLURGTGKWBBLJKK-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.76
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 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline?
The IUPAC name of 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline (CID 80752534) is 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline.
What is the SMILES notation for 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline?
The canonical SMILES for 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline is CCC1CCCC(Oc2cc(N)cc(F)c2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline?
The InChIKey is LURGTGKWBBLJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-10-4-3-5-13(6-10)17-14-8-11(15)7-12(16)9-14/h7-10,13H,2-6,16H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline?
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline has a molecular weight of 237.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)oxy-5-fluoroaniline is sourced from PubChem (CID 80752534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).