2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine

C11H15F2NO — CID 105404471

IUPAC2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-2-14-3-4-15-8-9-5-10(12)7-11(13)6-9/h5-7,14H,2-4,8H2,1H3
InChIKeyOKAIQWXCNGTHGG-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.09
Rot. Bonds6

About 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine

2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine (PubChem CID 105404471) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine
PubChem CID105404471
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-2-14-3-4-15-8-9-5-10(12)7-11(13)6-9/h5-7,14H,2-4,8H2,1H3
InChIKeyOKAIQWXCNGTHGG-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.09
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-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
2-[2-(ethylamino)ethoxymethyl]-4-fluorobenzonitrile
CID 107906413
3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
CID 82353951
1-bromo-3-fluoro-5-(propoxymethyl)benzene
CID 79701687
2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
CID 65302851
N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
CID 62784360
2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103081062
2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol
CID 62603880
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
CID 79736426
4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
CID 62335925
ethyl 3-[2-(ethylamino)ethoxymethyl]benzoate
CID 82353102

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine?
The IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine (CID 105404471) is 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine is CCNCCOCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine?
The InChIKey is OKAIQWXCNGTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-14-3-4-15-8-9-5-10(12)7-11(13)6-9/h5-7,14H,2-4,8H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine?
2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine is sourced from PubChem (CID 105404471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).