3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline

C15H15F2NO — CID 82096625

IUPAC3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-11-2-5-13(6-3-11)19-9-8-18-12-4-7-14(16)15(17)10-12/h2-7,10,18H,8-9H2,1H3
InChIKeyMAGHMINOPHBRCT-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.76
Rot. Bonds5

About 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline

3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 82096625) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID82096625
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-11-2-5-13(6-3-11)19-9-8-18-12-4-7-14(16)15(17)10-12/h2-7,10,18H,8-9H2,1H3
InChIKeyMAGHMINOPHBRCT-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096628
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(3-bromo-4-fluorophenoxy)ethyl]-4-methylaniline
CID 83235093
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
CID 103290318
3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196
formamide;3-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 144783373
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
3-chloro-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096501

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline (CID 82096625) is 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline is Cc1ccc(OCCNc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is MAGHMINOPHBRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-11-2-5-13(6-3-11)19-9-8-18-12-4-7-14(16)15(17)10-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 263.29 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 82096625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).