2-(1,10-phenanthrolin-5-yloxy)ethanamine

C14H13N3O — CID 59008923

IUPAC2-(1,10-phenanthrolin-5-yloxy)ethanamine
SMILESNCCOc1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H13N3O/c15-5-8-18-12-9-10-3-1-6-16-13(10)14-11(12)4-2-7-17-14/h1-4,6-7,9H,5,8,15H2
InChIKeyCVJKTLRDUYTEMU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.12
Rot. Bonds3

About 2-(1,10-phenanthrolin-5-yloxy)ethanamine

2-(1,10-phenanthrolin-5-yloxy)ethanamine (PubChem CID 59008923) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(1,10-phenanthrolin-5-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1,10-phenanthrolin-5-yloxy)ethanamine
PubChem CID59008923
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(1,10-phenanthrolin-5-yloxy)ethanamine
SMILESNCCOc1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H13N3O/c15-5-8-18-12-9-10-3-1-6-16-13(10)14-11(12)4-2-7-17-14/h1-4,6-7,9H,5,8,15H2
InChIKeyCVJKTLRDUYTEMU-UHFFFAOYSA-N
XLogP2.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
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-quinolin-8-yloxyethanamine
CID 17174906
8-(1,10-phenanthrolin-5-yloxy)octyl N-(3-trimethoxysilylpropyl)carbamate
CID 155602694
(NE)-N-[[4-(2-aminoethoxy)-1,10-phenanthrolin-2-yl]methylidene]hydroxylamine
CID 135897790
2-(6-propan-2-ylquinolin-8-yl)oxyethanamine
CID 166022914
[2-hydroxy-3-(1,10-phenanthrolin-5-yloxy)propyl] acetate
CID 134939731
2-[2-[2-[2-[4-[2-(1,10-phenanthrolin-5-yloxy)ethyl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177488836
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
5-[bis(1,10-phenanthrolin-5-yl)phosphoryl]-1,10-phenanthroline
CID 88535892
5-[2-[2-(1,10-phenanthrolin-5-ylsulfanyl)ethoxy]ethylsulfanyl]-1,10-phenanthroline
CID 11981557
5-ethynyl-1,10-phenanthroline
CID 10703368
bis(1,10-phenanthroline);ruthenium
CID 15001085
naphtho[2,3-f][1,10]phenanthroline
CID 15381524

Frequently Asked Questions

What is the IUPAC name of 2-(1,10-phenanthrolin-5-yloxy)ethanamine?
The IUPAC name of 2-(1,10-phenanthrolin-5-yloxy)ethanamine (CID 59008923) is 2-(1,10-phenanthrolin-5-yloxy)ethanamine.
What is the SMILES notation for 2-(1,10-phenanthrolin-5-yloxy)ethanamine?
The canonical SMILES for 2-(1,10-phenanthrolin-5-yloxy)ethanamine is NCCOc1cc2cccnc2c2ncccc12.
What is the InChIKey of 2-(1,10-phenanthrolin-5-yloxy)ethanamine?
The InChIKey is CVJKTLRDUYTEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-5-8-18-12-9-10-3-1-6-16-13(10)14-11(12)4-2-7-17-14/h1-4,6-7,9H,5,8,15H2.
What are the key properties of 2-(1,10-phenanthrolin-5-yloxy)ethanamine?
2-(1,10-phenanthrolin-5-yloxy)ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10-phenanthrolin-5-yloxy)ethanamine is sourced from PubChem (CID 59008923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).