N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride

C19H26Cl3N3O2 — CID 20553444

IUPACN-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
SMILESCNCCOc1ccc2cc3ccc(OCCNC)cc3nc2c1.Cl.Cl.Cl
InChIInChI=1S/C19H23N3O2.3ClH/c1-20-7-9-23-16-5-3-14-11-15-4-6-17(24-10-8-21-2)13-19(15)22-18(14)12-16;;;/h3-6,11-13,20-21H,7-10H2,1-2H3;3*1H
InChIKeyRKTADNANGAMFAK-UHFFFAOYSA-N
MW434.80 g/mol
LogP3.85
Rot. Bonds8

About N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride

N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride (PubChem CID 20553444) has the molecular formula C19H26Cl3N3O2 and a molecular weight of 434.80 g/mol. Its IUPAC name is N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride.

Molecular Properties

Compound NameN-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
PubChem CID20553444
Molecular FormulaC19H26Cl3N3O2
Molecular Weight434.80 g/mol
Exact Mass433.11
IUPAC NameN-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
SMILESCNCCOc1ccc2cc3ccc(OCCNC)cc3nc2c1.Cl.Cl.Cl
InChIInChI=1S/C19H23N3O2.3ClH/c1-20-7-9-23-16-5-3-14-11-15-4-6-17(24-10-8-21-2)13-19(15)22-18(14)12-16;;;/h3-6,11-13,20-21H,7-10H2,1-2H3;3*1H
InChIKeyRKTADNANGAMFAK-UHFFFAOYSA-N
XLogP3.85
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[6-[3-(methylamino)propoxy]acridin-3-yl]oxypropan-1-amine;hydrate;hydrochloride
CID 45260080
2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride
CID 20553469
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
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
3-hexoxyacridine
CID 141299786
3-[2-(methylamino)ethoxy]phenol
CID 83619980
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride?
The IUPAC name of N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride (CID 20553444) is N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride.
What is the SMILES notation for N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride?
The canonical SMILES for N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride is CNCCOc1ccc2cc3ccc(OCCNC)cc3nc2c1.Cl.Cl.Cl.
What is the InChIKey of N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride?
The InChIKey is RKTADNANGAMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.3ClH/c1-20-7-9-23-16-5-3-14-11-15-4-6-17(24-10-8-21-2)13-19(15)22-18(14)12-16;;;/h3-6,11-13,20-21H,7-10H2,1-2H3;3*1H.
What are the key properties of N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride?
N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride has a molecular weight of 434.80 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride is sourced from PubChem (CID 20553444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).