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

C14H20N2O2 — CID 116995843

IUPACN-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine
SMILESCNCC1c2cc3c(cc2CCN1C)OCCO3
InChIInChI=1S/C14H20N2O2/c1-15-9-12-11-8-14-13(17-5-6-18-14)7-10(11)3-4-16(12)2/h7-8,12,15H,3-6,9H2,1-2H3
InChIKeyRZFSCQZWRMUJOZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds2

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

N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine (PubChem CID 116995843) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine
PubChem CID116995843
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine
SMILESCNCC1c2cc3c(cc2CCN1C)OCCO3
InChIInChI=1S/C14H20N2O2/c1-15-9-12-11-8-14-13(17-5-6-18-14)7-10(11)3-4-16(12)2/h7-8,12,15H,3-6,9H2,1-2H3
InChIKeyRZFSCQZWRMUJOZ-UHFFFAOYSA-N
XLogP1.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine?
The IUPAC name of N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine (CID 116995843) is N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine is CNCC1c2cc3c(cc2CCN1C)OCCO3.
What is the InChIKey of N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine?
The InChIKey is RZFSCQZWRMUJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-9-12-11-8-14-13(17-5-6-18-14)7-10(11)3-4-16(12)2/h7-8,12,15H,3-6,9H2,1-2H3.
What are the key properties of N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine?
N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)methanamine is sourced from PubChem (CID 116995843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).