2-[2-(2,4-difluorophenyl)ethoxy]ethanamine

C10H13F2NO — CID 65300666

IUPAC2-[2-(2,4-difluorophenyl)ethoxy]ethanamine
SMILESNCCOCCc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO/c11-9-2-1-8(10(12)7-9)3-5-14-6-4-13/h1-2,7H,3-6,13H2
InChIKeyREOOFYXASVZLHB-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.48
Rot. Bonds5

About 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine

2-[2-(2,4-difluorophenyl)ethoxy]ethanamine (PubChem CID 65300666) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)ethoxy]ethanamine
PubChem CID65300666
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[2-(2,4-difluorophenyl)ethoxy]ethanamine
SMILESNCCOCCc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO/c11-9-2-1-8(10(12)7-9)3-5-14-6-4-13/h1-2,7H,3-6,13H2
InChIKeyREOOFYXASVZLHB-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.48
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

2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
CID 103304871
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176953846
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
CID 62318724
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
2,4-difluoro-1-pentylbenzene
CID 20770613
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
3-(2,4-difluorophenyl)propyl methanesulfonate
CID 58020486
3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
CID 94768590
2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
CID 103482663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine (CID 65300666) is 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine is NCCOCCc1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine?
The InChIKey is REOOFYXASVZLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-9-2-1-8(10(12)7-9)3-5-14-6-4-13/h1-2,7H,3-6,13H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine?
2-[2-(2,4-difluorophenyl)ethoxy]ethanamine has a molecular weight of 201.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)ethoxy]ethanamine is sourced from PubChem (CID 65300666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).