1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol

C19H32N2O4 — CID 22483533

IUPAC1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(O)OC(C)OC(C)OC(C)N1CCC(C)(C)c2cc(N)ccc21
InChIInChI=1S/C19H32N2O4/c1-12(23-14(3)25-15(4)24-13(2)22)21-10-9-19(5,6)17-11-16(20)7-8-18(17)21/h7-8,11-15,22H,9-10,20H2,1-6H3
InChIKeyQMUXZRBBIKENHR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.18
Rot. Bonds7

About 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol

1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 22483533) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID22483533
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(O)OC(C)OC(C)OC(C)N1CCC(C)(C)c2cc(N)ccc21
InChIInChI=1S/C19H32N2O4/c1-12(23-14(3)25-15(4)24-13(2)22)21-10-9-19(5,6)17-11-16(20)7-8-18(17)21/h7-8,11-15,22H,9-10,20H2,1-6H3
InChIKeyQMUXZRBBIKENHR-UHFFFAOYSA-N
XLogP3.18
TPSA77.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol (CID 22483533) is 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol is CC(O)OC(C)OC(C)OC(C)N1CCC(C)(C)c2cc(N)ccc21.
What is the InChIKey of 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is QMUXZRBBIKENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-12(23-14(3)25-15(4)24-13(2)22)21-10-9-19(5,6)17-11-16(20)7-8-18(17)21/h7-8,11-15,22H,9-10,20H2,1-6H3.
What are the key properties of 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 352.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(6-amino-4,4-dimethyl-2,3-dihydroquinolin-1-yl)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 22483533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).