N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine

C18H21N3O — CID 14040332

IUPACN,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine
SMILESCCN(CC)CCOc1ccc2c(ccc3cccnc32)n1
InChIInChI=1S/C18H21N3O/c1-3-21(4-2)12-13-22-17-10-8-15-16(20-17)9-7-14-6-5-11-19-18(14)15/h5-11H,3-4,12-13H2,1-2H3
InChIKeyHAAINRYLNDHVTI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.50
Rot. Bonds6

About N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine

N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine (PubChem CID 14040332) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine
PubChem CID14040332
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine
SMILESCCN(CC)CCOc1ccc2c(ccc3cccnc32)n1
InChIInChI=1S/C18H21N3O/c1-3-21(4-2)12-13-22-17-10-8-15-16(20-17)9-7-14-6-5-11-19-18(14)15/h5-11H,3-4,12-13H2,1-2H3
InChIKeyHAAINRYLNDHVTI-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
methanol;1,7-phenanthroline
CID 174496893
N,N-diethyl-2-[4-(methylaminomethyl)quinolin-2-yl]oxyethanamine
CID 62296835
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
tetrakis(N,N-diethylcarbamodithioate);1,7-phenanthroline;tin(4+)
CID 174667242
2-(7-chloro-4-methylquinolin-2-yl)oxy-N,N-diethylethanamine
CID 154130691
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
7-bromo-8-propoxyquinoline
CID 100612692
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine (CID 14040332) is N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine is CCN(CC)CCOc1ccc2c(ccc3cccnc32)n1.
What is the InChIKey of N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine?
The InChIKey is HAAINRYLNDHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-21(4-2)12-13-22-17-10-8-15-16(20-17)9-7-14-6-5-11-19-18(14)15/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine?
N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine has a molecular weight of 295.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,7-phenanthrolin-8-yloxy)ethanamine is sourced from PubChem (CID 14040332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).