2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol

C30H37F3N2O6 — CID 136969432

IUPAC2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol
SMILESCOCCOCCOCCOCCNCCOCc1cc(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2O)ccn1
InChIInChI=1S/C30H37F3N2O6/c1-37-13-14-39-17-18-40-16-15-38-11-9-34-10-12-41-22-27-20-25(7-8-35-27)28-21-24(5-6-29(28)36)23-3-2-4-26(19-23)30(31,32)33/h2-8,19-21,34,36H,9-18,22H2,1H3
InChIKeyZRUXEYWWTJZYLU-UHFFFAOYSA-N
MW578.63 g/mol
LogP4.94
Rot. Bonds19

About 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol

2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol (PubChem CID 136969432) has the molecular formula C30H37F3N2O6 and a molecular weight of 578.63 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol
PubChem CID136969432
Molecular FormulaC30H37F3N2O6
Molecular Weight578.63 g/mol
Exact Mass578.26
IUPAC Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol
SMILESCOCCOCCOCCOCCNCCOCc1cc(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2O)ccn1
InChIInChI=1S/C30H37F3N2O6/c1-37-13-14-39-17-18-40-16-15-38-11-9-34-10-12-41-22-27-20-25(7-8-35-27)28-21-24(5-6-29(28)36)23-3-2-4-26(19-23)30(31,32)33/h2-8,19-21,34,36H,9-18,22H2,1H3
InChIKeyZRUXEYWWTJZYLU-UHFFFAOYSA-N
XLogP4.94
TPSA91.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.63
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl]ethanamine
CID 118554640
[4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 130449404
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl]carbamate
CID 130449400
tert-butyl 3-[4-[2-hydroxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]propanoate
CID 159460523
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
N-[[4-[2-[2-chloro-5-fluoro-4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenoxy]-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 118554651
1-[[4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl]-3-(10,11,12,13-tetraoxotridecyl)urea
CID 130449509
tert-butyl 3-[4-[2-phenylmethoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]propanoate
CID 160631484
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
tert-butyl 2-[[4-[2-methoxy-5-(3-methylphenyl)phenyl]-2-pyridinyl]methoxy]acetate
CID 130466575
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol (CID 136969432) is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol is COCCOCCOCCOCCNCCOCc1cc(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2O)ccn1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol?
The InChIKey is ZRUXEYWWTJZYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F3N2O6/c1-37-13-14-39-17-18-40-16-15-38-11-9-34-10-12-41-22-27-20-25(7-8-35-27)28-21-24(5-6-29(28)36)23-3-2-4-26(19-23)30(31,32)33/h2-8,19-21,34,36H,9-18,22H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol?
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol has a molecular weight of 578.63 g/mol, XLogP of 4.94, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxymethyl]-4-pyridinyl]-4-[3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 136969432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).