2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride

C17H22ClN3O3 — CID 45260071

IUPAC2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
SMILESCl.NCCOc1ccc2cc3ccc(OCCN)cc3nc2c1.O
InChIInChI=1S/C17H19N3O2.ClH.H2O/c18-5-7-21-14-3-1-12-9-13-2-4-15(22-8-6-19)11-17(13)20-16(12)10-14;;/h1-4,9-11H,5-8,18-19H2;1H;1H2
InChIKeyPRZHFIIVOTVEFT-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.66
Rot. Bonds6

About 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride

2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride (PubChem CID 45260071) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride.

Molecular Properties

Compound Name2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
PubChem CID45260071
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
SMILESCl.NCCOc1ccc2cc3ccc(OCCN)cc3nc2c1.O
InChIInChI=1S/C17H19N3O2.ClH.H2O/c18-5-7-21-14-3-1-12-9-13-2-4-15(22-8-6-19)11-17(13)20-16(12)10-14;;/h1-4,9-11H,5-8,18-19H2;1H;1H2
InChIKeyPRZHFIIVOTVEFT-UHFFFAOYSA-N
XLogP1.66
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
N-methyl-3-[6-[3-(methylamino)propoxy]acridin-3-yl]oxypropan-1-amine;hydrate;hydrochloride
CID 45260080
N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
CID 20553444
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride
CID 20553469
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
3-quinoxalin-6-yloxypropan-1-amine
CID 82189749
N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
CID 88785633
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine
CID 173439460

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride?
The IUPAC name of 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride (CID 45260071) is 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride.
What is the SMILES notation for 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride?
The canonical SMILES for 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride is Cl.NCCOc1ccc2cc3ccc(OCCN)cc3nc2c1.O.
What is the InChIKey of 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride?
The InChIKey is PRZHFIIVOTVEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.ClH.H2O/c18-5-7-21-14-3-1-12-9-13-2-4-15(22-8-6-19)11-17(13)20-16(12)10-14;;/h1-4,9-11H,5-8,18-19H2;1H;1H2.
What are the key properties of 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride?
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride is sourced from PubChem (CID 45260071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).