2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline

C15H16FNO2 — CID 55060895

IUPAC2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
SMILESCCOc1cccc(OCc2cc(F)ccc2N)c1
InChIInChI=1S/C15H16FNO2/c1-2-18-13-4-3-5-14(9-13)19-10-11-8-12(16)6-7-15(11)17/h3-9H,2,10,17H2,1H3
InChIKeyMJKOUVUGAZFYHC-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.39
Rot. Bonds5

About 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline

2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline (PubChem CID 55060895) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
PubChem CID55060895
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
SMILESCCOc1cccc(OCc2cc(F)ccc2N)c1
InChIInChI=1S/C15H16FNO2/c1-2-18-13-4-3-5-14(9-13)19-10-11-8-12(16)6-7-15(11)17/h3-9H,2,10,17H2,1H3
InChIKeyMJKOUVUGAZFYHC-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

2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
4-chloro-2-[(3-ethoxyphenoxy)methyl]aniline
CID 79583150
3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
CID 107347960
2-[(3-ethoxyphenoxy)methyl]-4-fluorobenzenecarbothioamide
CID 64764888
2-[(3,5-difluorophenoxy)methyl]-4-fluoroaniline
CID 62786342
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
2-[(3-fluorophenoxy)methyl]-4-nitroaniline
CID 62193712
2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline
CID 64601157
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline?
The IUPAC name of 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline (CID 55060895) is 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline?
The canonical SMILES for 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline is CCOc1cccc(OCc2cc(F)ccc2N)c1.
What is the InChIKey of 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline?
The InChIKey is MJKOUVUGAZFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-18-13-4-3-5-14(9-13)19-10-11-8-12(16)6-7-15(11)17/h3-9H,2,10,17H2,1H3.
What are the key properties of 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline?
2-[(3-ethoxyphenoxy)methyl]-4-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 2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline is sourced from PubChem (CID 55060895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).