2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine

C15H18N2O2 — CID 116995467

IUPAC2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C15H18N2O2/c1-15(2,9-16)14-11-8-13-12(18-5-6-19-13)7-10(11)3-4-17-14/h3-4,7-8H,5-6,9,16H2,1-2H3
InChIKeyPPHOOTKBVMHBCI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds2

About 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine

2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine (PubChem CID 116995467) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine
PubChem CID116995467
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C15H18N2O2/c1-15(2,9-16)14-11-8-13-12(18-5-6-19-13)7-10(11)3-4-17-14/h3-4,7-8H,5-6,9,16H2,1-2H3
InChIKeyPPHOOTKBVMHBCI-UHFFFAOYSA-N
XLogP2.24
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine (CID 116995467) is 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine is CC(C)(CN)c1nccc2cc3c(cc12)OCCO3.
What is the InChIKey of 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine?
The InChIKey is PPHOOTKBVMHBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,9-16)14-11-8-13-12(18-5-6-19-13)7-10(11)3-4-17-14/h3-4,7-8H,5-6,9,16H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine?
2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 116995467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).