2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline

C14H14FNO2 — CID 102980202

IUPAC2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
SMILESCOc1ccc(Oc2cc(F)ccc2C)c(N)c1
InChIInChI=1S/C14H14FNO2/c1-9-3-4-10(15)7-14(9)18-13-6-5-11(17-2)8-12(13)16/h3-8H,16H2,1-2H3
InChIKeyBUPQSOIMWLMCCG-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline

2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline (PubChem CID 102980202) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
PubChem CID102980202
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
SMILESCOc1ccc(Oc2cc(F)ccc2C)c(N)c1
InChIInChI=1S/C14H14FNO2/c1-9-3-4-10(15)7-14(9)18-13-6-5-11(17-2)8-12(13)16/h3-8H,16H2,1-2H3
InChIKeyBUPQSOIMWLMCCG-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.52
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

5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102980224
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
CID 141165190
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980292
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline (CID 102980202) is 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline is COc1ccc(Oc2cc(F)ccc2C)c(N)c1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline?
The InChIKey is BUPQSOIMWLMCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-3-4-10(15)7-14(9)18-13-6-5-11(17-2)8-12(13)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline?
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline has a molecular weight of 247.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline is sourced from PubChem (CID 102980202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).