2-(3,5-dimethylphenoxy)-4-fluoroaniline

C14H14FNO — CID 62377840

IUPAC2-(3,5-dimethylphenoxy)-4-fluoroaniline
SMILESCc1cc(C)cc(Oc2cc(F)ccc2N)c1
InChIInChI=1S/C14H14FNO/c1-9-5-10(2)7-12(6-9)17-14-8-11(15)3-4-13(14)16/h3-8H,16H2,1-2H3
InChIKeyPWFSBGYHJQWCTA-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.82
Rot. Bonds2

About 2-(3,5-dimethylphenoxy)-4-fluoroaniline

2-(3,5-dimethylphenoxy)-4-fluoroaniline (PubChem CID 62377840) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-4-fluoroaniline
PubChem CID62377840
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-(3,5-dimethylphenoxy)-4-fluoroaniline
SMILESCc1cc(C)cc(Oc2cc(F)ccc2N)c1
InChIInChI=1S/C14H14FNO/c1-9-5-10(2)7-12(6-9)17-14-8-11(15)3-4-13(14)16/h3-8H,16H2,1-2H3
InChIKeyPWFSBGYHJQWCTA-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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Related Compounds

4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2-(4-bromo-3,5-dimethylphenoxy)-4-fluoroaniline
CID 107722631
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
2-(4-methylphenoxy)benzene-1,4-diamine
CID 163806910
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-4-fluoroaniline?
The IUPAC name of 2-(3,5-dimethylphenoxy)-4-fluoroaniline (CID 62377840) is 2-(3,5-dimethylphenoxy)-4-fluoroaniline.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-4-fluoroaniline?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-4-fluoroaniline is Cc1cc(C)cc(Oc2cc(F)ccc2N)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-4-fluoroaniline?
The InChIKey is PWFSBGYHJQWCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-5-10(2)7-12(6-9)17-14-8-11(15)3-4-13(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-4-fluoroaniline?
2-(3,5-dimethylphenoxy)-4-fluoroaniline 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 2-(3,5-dimethylphenoxy)-4-fluoroaniline is sourced from PubChem (CID 62377840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).