2-(3-ethoxyphenyl)-6-fluoroaniline

C14H14FNO — CID 107602864

IUPAC2-(3-ethoxyphenyl)-6-fluoroaniline
SMILESCCOc1cccc(-c2cccc(F)c2N)c1
InChIInChI=1S/C14H14FNO/c1-2-17-11-6-3-5-10(9-11)12-7-4-8-13(15)14(12)16/h3-9H,2,16H2,1H3
InChIKeyLNYFYRNPSVBGMM-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-ethoxyphenyl)-6-fluoroaniline

2-(3-ethoxyphenyl)-6-fluoroaniline (PubChem CID 107602864) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-6-fluoroaniline
PubChem CID107602864
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-(3-ethoxyphenyl)-6-fluoroaniline
SMILESCCOc1cccc(-c2cccc(F)c2N)c1
InChIInChI=1S/C14H14FNO/c1-2-17-11-6-3-5-10(9-11)12-7-4-8-13(15)14(12)16/h3-9H,2,16H2,1H3
InChIKeyLNYFYRNPSVBGMM-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-ethoxyphenyl)-6-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxyphenyl)aniline
CID 57482711
4-tert-butyl-2-(3-ethoxyphenyl)-1-fluorobenzene
CID 58049401
3-[2-(3-ethoxyphenyl)-3-fluorophenyl]benzonitrile
CID 70306985
CID 88533014
CID 88533014
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
1-ethenyl-2-(3-ethoxyphenyl)benzene
CID 151818646
1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene
CID 67797974
2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline
CID 107602971
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
2-(3-ethoxyphenyl)-6-methoxyphenol
CID 83130790
1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene
CID 54506157
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-6-fluoroaniline?
The IUPAC name of 2-(3-ethoxyphenyl)-6-fluoroaniline (CID 107602864) is 2-(3-ethoxyphenyl)-6-fluoroaniline.
What is the SMILES notation for 2-(3-ethoxyphenyl)-6-fluoroaniline?
The canonical SMILES for 2-(3-ethoxyphenyl)-6-fluoroaniline is CCOc1cccc(-c2cccc(F)c2N)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-6-fluoroaniline?
The InChIKey is LNYFYRNPSVBGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-2-17-11-6-3-5-10(9-11)12-7-4-8-13(15)14(12)16/h3-9H,2,16H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)-6-fluoroaniline?
2-(3-ethoxyphenyl)-6-fluoroaniline has a molecular weight of 231.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-6-fluoroaniline is sourced from PubChem (CID 107602864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).