2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine

C12H17NO3 — CID 45097791

IUPAC2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
SMILESCNCCc1cc2c(c(OC)c1C)OCO2
InChIInChI=1S/C12H17NO3/c1-8-9(4-5-13-2)6-10-12(11(8)14-3)16-7-15-10/h6,13H,4-5,7H2,1-3H3
InChIKeyUUDZAXFMTGDZGT-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.49
Rot. Bonds4

About 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine

2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine (PubChem CID 45097791) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
PubChem CID45097791
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
SMILESCNCCc1cc2c(c(OC)c1C)OCO2
InChIInChI=1S/C12H17NO3/c1-8-9(4-5-13-2)6-10-12(11(8)14-3)16-7-15-10/h6,13H,4-5,7H2,1-3H3
InChIKeyUUDZAXFMTGDZGT-UHFFFAOYSA-N
XLogP1.49
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxy-2-methylphenyl)-1-[6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]ethanamine
CID 130398961
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
N-methyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine
CID 90228441
2-(7-chloro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 64868326
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)acetonitrile
CID 84790456
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 115198003
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233
1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 83886131
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine
CID 117461082
(4-methoxyphenyl)methyl N-[2-(6-iodo-7-methoxy-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 155681546

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine (CID 45097791) is 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine is CNCCc1cc2c(c(OC)c1C)OCO2.
What is the InChIKey of 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine?
The InChIKey is UUDZAXFMTGDZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-9(4-5-13-2)6-10-12(11(8)14-3)16-7-15-10/h6,13H,4-5,7H2,1-3H3.
What are the key properties of 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine?
2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine has a molecular weight of 223.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine is sourced from PubChem (CID 45097791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).