4-(4-fluorophenoxy)-3,5-dimethylaniline

C14H14FNO — CID 91671802

IUPAC4-(4-fluorophenoxy)-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1Oc1ccc(F)cc1
InChIInChI=1S/C14H14FNO/c1-9-7-12(16)8-10(2)14(9)17-13-5-3-11(15)4-6-13/h3-8H,16H2,1-2H3
InChIKeyNLWKRZCFPAITKM-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.82
Rot. Bonds2

About 4-(4-fluorophenoxy)-3,5-dimethylaniline

4-(4-fluorophenoxy)-3,5-dimethylaniline (PubChem CID 91671802) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3,5-dimethylaniline.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3,5-dimethylaniline
PubChem CID91671802
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name4-(4-fluorophenoxy)-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1Oc1ccc(F)cc1
InChIInChI=1S/C14H14FNO/c1-9-7-12(16)8-10(2)14(9)17-13-5-3-11(15)4-6-13/h3-8H,16H2,1-2H3
InChIKeyNLWKRZCFPAITKM-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.82
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-(4-fluorophenoxy)-3,5-dimethylaniline?
The IUPAC name of 4-(4-fluorophenoxy)-3,5-dimethylaniline (CID 91671802) is 4-(4-fluorophenoxy)-3,5-dimethylaniline.
What is the SMILES notation for 4-(4-fluorophenoxy)-3,5-dimethylaniline?
The canonical SMILES for 4-(4-fluorophenoxy)-3,5-dimethylaniline is Cc1cc(N)cc(C)c1Oc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-3,5-dimethylaniline?
The InChIKey is NLWKRZCFPAITKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-7-12(16)8-10(2)14(9)17-13-5-3-11(15)4-6-13/h3-8H,16H2,1-2H3.
What are the key properties of 4-(4-fluorophenoxy)-3,5-dimethylaniline?
4-(4-fluorophenoxy)-3,5-dimethylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3,5-dimethylaniline is sourced from PubChem (CID 91671802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).