2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine

C17H19F2NO2 — CID 21187771

IUPAC2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO2/c18-15-5-1-13(2-6-15)17(22-12-11-21-10-9-20)14-3-7-16(19)8-4-14/h1-8,17H,9-12,20H2
InChIKeyPSZGZURGCIDGEP-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.05
Rot. Bonds8

About 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine

2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine (PubChem CID 21187771) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
PubChem CID21187771
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
SMILESNCCOCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO2/c18-15-5-1-13(2-6-15)17(22-12-11-21-10-9-20)14-3-7-16(19)8-4-14/h1-8,17H,9-12,20H2
InChIKeyPSZGZURGCIDGEP-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.05
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

4-[bis(4-fluorophenyl)methoxy]butan-1-amine
CID 71092027
2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 56693384
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
1-[2-[(R)-(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidin-1-ium
CID 6959565
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
CID 122382363
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide
CID 58811248
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2H-pyrimidine
CID 18925532

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine (CID 21187771) is 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine is NCCOCCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine?
The InChIKey is PSZGZURGCIDGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c18-15-5-1-13(2-6-15)17(22-12-11-21-10-9-20)14-3-7-16(19)8-4-14/h1-8,17H,9-12,20H2.
What are the key properties of 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine?
2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine has a molecular weight of 307.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine is sourced from PubChem (CID 21187771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).