N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine

C12H17F2NO2 — CID 62784360

IUPACN-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
SMILESCCOCCNCCOc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO2/c1-2-16-5-3-15-4-6-17-12-8-10(13)7-11(14)9-12/h7-9,15H,2-6H2,1H3
InChIKeyBNJRWJGDPCSUNA-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.97
Rot. Bonds8

About N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine

N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine (PubChem CID 62784360) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
PubChem CID62784360
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC NameN-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
SMILESCCOCCNCCOc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO2/c1-2-16-5-3-15-4-6-17-12-8-10(13)7-11(14)9-12/h7-9,15H,2-6H2,1H3
InChIKeyBNJRWJGDPCSUNA-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809
2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
CID 102747527
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
N-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 107726662
ethyl 2-[2-(3,5-difluorophenoxy)ethylamino]-2-oxoacetate
CID 110481826
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
2-ethoxy-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62583085
N-ethyl-2-(3-fluoro-5-nitrophenoxy)ethanamine
CID 62347822
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
1-(2-ethoxyethyl)-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine
CID 111894291

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine?
The IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine (CID 62784360) is N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine is CCOCCNCCOc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine?
The InChIKey is BNJRWJGDPCSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-16-5-3-15-4-6-17-12-8-10(13)7-11(14)9-12/h7-9,15H,2-6H2,1H3.
What are the key properties of N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine?
N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine has a molecular weight of 245.27 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine is sourced from PubChem (CID 62784360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).