3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline

C15H16FNO2 — CID 107347960

IUPAC3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
SMILESCCOc1cccc(OCc2cccc(N)c2F)c1
InChIInChI=1S/C15H16FNO2/c1-2-18-12-6-4-7-13(9-12)19-10-11-5-3-8-14(17)15(11)16/h3-9H,2,10,17H2,1H3
InChIKeyVPRANPILSJFVMY-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.39
Rot. Bonds5

About 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline

3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline (PubChem CID 107347960) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
PubChem CID107347960
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
SMILESCCOc1cccc(OCc2cccc(N)c2F)c1
InChIInChI=1S/C15H16FNO2/c1-2-18-12-6-4-7-13(9-12)19-10-11-5-3-8-14(17)15(11)16/h3-9H,2,10,17H2,1H3
InChIKeyVPRANPILSJFVMY-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
4-chloro-2-[(3-ethoxyphenoxy)methyl]aniline
CID 79583150
3-[(2-ethoxyphenyl)methoxy]aniline
CID 54908931
2-[(3-ethoxyphenoxy)methyl]-4-fluorobenzenecarbothioamide
CID 64764888
2-fluoro-3-(propan-2-yloxymethyl)aniline
CID 107347884
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline?
The IUPAC name of 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline (CID 107347960) is 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline.
What is the SMILES notation for 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline?
The canonical SMILES for 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline is CCOc1cccc(OCc2cccc(N)c2F)c1.
What is the InChIKey of 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline?
The InChIKey is VPRANPILSJFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-18-12-6-4-7-13(9-12)19-10-11-5-3-8-14(17)15(11)16/h3-9H,2,10,17H2,1H3.
What are the key properties of 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline?
3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline has a molecular weight of 261.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline is sourced from PubChem (CID 107347960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).