N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine

C15H22N2O2 — CID 84638892

IUPACN-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine
SMILESCNCCC1CCN(C)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H22N2O2/c1-16-5-3-11-4-6-17(2)13-10-15-14(9-12(11)13)18-7-8-19-15/h9-11,16H,3-8H2,1-2H3
InChIKeyCEVJWWASXGMVFR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.99
Rot. Bonds3

About N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine

N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine (PubChem CID 84638892) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine
PubChem CID84638892
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine
SMILESCNCCC1CCN(C)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H22N2O2/c1-16-5-3-11-4-6-17(2)13-10-15-14(9-12(11)13)18-7-8-19-15/h9-11,16H,3-8H2,1-2H3
InChIKeyCEVJWWASXGMVFR-UHFFFAOYSA-N
XLogP1.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine (CID 84638892) is N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine is CNCCC1CCN(C)c2cc3c(cc21)OCCO3.
What is the InChIKey of N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine?
The InChIKey is CEVJWWASXGMVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-5-3-11-4-6-17(2)13-10-15-14(9-12(11)13)18-7-8-19-15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine?
N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-9-yl)ethanamine is sourced from PubChem (CID 84638892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).