2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline

C15H16FNO2 — CID 39361246

IUPAC2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cccc(F)c2)c(N)c1
InChIInChI=1S/C15H16FNO2/c1-11-5-6-15(14(17)9-11)19-8-7-18-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8,17H2,1H3
InChIKeyUEVMVEWFBOORQE-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline

2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline (PubChem CID 39361246) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
PubChem CID39361246
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cccc(F)c2)c(N)c1
InChIInChI=1S/C15H16FNO2/c1-11-5-6-15(14(17)9-11)19-8-7-18-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8,17H2,1H3
InChIKeyUEVMVEWFBOORQE-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline
CID 39383274
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
CID 91322801
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline?
The IUPAC name of 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline (CID 39361246) is 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline?
The canonical SMILES for 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline is Cc1ccc(OCCOc2cccc(F)c2)c(N)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline?
The InChIKey is UEVMVEWFBOORQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-11-5-6-15(14(17)9-11)19-8-7-18-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline?
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline has a molecular weight of 261.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline is sourced from PubChem (CID 39361246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).