2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline

C14H19F2NO — CID 62533930

IUPAC2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
SMILESCCC1CCCCC1Oc1c(N)ccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-2-9-5-3-4-6-12(9)18-14-11(17)8-7-10(15)13(14)16/h7-9,12H,2-6,17H2,1H3
InChIKeyMMLBGNYMSYIFJL-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline

2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline (PubChem CID 62533930) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
PubChem CID62533930
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
SMILESCCC1CCCCC1Oc1c(N)ccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-2-9-5-3-4-6-12(9)18-14-11(17)8-7-10(15)13(14)16/h7-9,12H,2-6,17H2,1H3
InChIKeyMMLBGNYMSYIFJL-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.89
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-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline (CID 62533930) is 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline is CCC1CCCCC1Oc1c(N)ccc(F)c1F.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline?
The InChIKey is MMLBGNYMSYIFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-9-5-3-4-6-12(9)18-14-11(17)8-7-10(15)13(14)16/h7-9,12H,2-6,17H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline?
2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline has a molecular weight of 255.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline is sourced from PubChem (CID 62533930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).