2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine

C20H32F2N2O — CID 166734159

IUPAC2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(F)c(N2CCCCCCCC2)c(F)c1
InChIInChI=1S/C20H32F2N2O/c1-3-23(4-2)13-14-25-17-15-18(21)20(19(22)16-17)24-11-9-7-5-6-8-10-12-24/h15-16H,3-14H2,1-2H3
InChIKeyHKCAKVGYDGFVEJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.85
Rot. Bonds7

About 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine

2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine (PubChem CID 166734159) has the molecular formula C20H32F2N2O and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine
PubChem CID166734159
Molecular FormulaC20H32F2N2O
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(F)c(N2CCCCCCCC2)c(F)c1
InChIInChI=1S/C20H32F2N2O/c1-3-23(4-2)13-14-25-17-15-18(21)20(19(22)16-17)24-11-9-7-5-6-8-10-12-24/h15-16H,3-14H2,1-2H3
InChIKeyHKCAKVGYDGFVEJ-UHFFFAOYSA-N
XLogP4.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337
2-(3-bromo-5-fluorophenoxy)-N,N-diethylethanamine
CID 81331369
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 71451908
3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 65202424
1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine
CID 138741639
2-[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenoxy]ethanol
CID 138741506
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
3-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 80748413
1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
CID 129149269
1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine (CID 166734159) is 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1cc(F)c(N2CCCCCCCC2)c(F)c1.
What is the InChIKey of 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine?
The InChIKey is HKCAKVGYDGFVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2N2O/c1-3-23(4-2)13-14-25-17-15-18(21)20(19(22)16-17)24-11-9-7-5-6-8-10-12-24/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine?
2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine has a molecular weight of 354.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 166734159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).