N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine

C12H17NO2 — CID 83883221

IUPACN-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
SMILESCNCCc1cc(C)cc2c1OCOC2
InChIInChI=1S/C12H17NO2/c1-9-5-10(3-4-13-2)12-11(6-9)7-14-8-15-12/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyHQHJOAKGVNKKSS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine

N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine (PubChem CID 83883221) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
PubChem CID83883221
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
SMILESCNCCc1cc(C)cc2c1OCOC2
InChIInChI=1S/C12H17NO2/c1-9-5-10(3-4-13-2)12-11(6-9)7-14-8-15-12/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyHQHJOAKGVNKKSS-UHFFFAOYSA-N
XLogP1.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
CID 83903752
6,8-dimethyl-4H-1,3-benzodioxine
CID 89017859
N-methyl-2-(5-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83883249
1-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanone
CID 83877982
2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111276989
2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 45097791
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 55873109
3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,2-dimethyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289309
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine
CID 117461082
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
CID 67416939
2-(7-chloro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 64868326

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine (CID 83883221) is N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine is CNCCc1cc(C)cc2c1OCOC2.
What is the InChIKey of N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine?
The InChIKey is HQHJOAKGVNKKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-10(3-4-13-2)12-11(6-9)7-14-8-15-12/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine?
N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanamine is sourced from PubChem (CID 83883221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).