2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine

C10H13NO3 — CID 11127161

IUPAC2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
SMILESCOc1c(CCN)ccc2c1OCO2
InChIInChI=1S/C10H13NO3/c1-12-9-7(4-5-11)2-3-8-10(9)14-6-13-8/h2-3H,4-6,11H2,1H3
InChIKeyAXEJSBWWIHAWJM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.93
Rot. Bonds3

About 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine

2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine (PubChem CID 11127161) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
PubChem CID11127161
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
SMILESCOc1c(CCN)ccc2c1OCO2
InChIInChI=1S/C10H13NO3/c1-12-9-7(4-5-11)2-3-8-10(9)14-6-13-8/h2-3H,4-6,11H2,1H3
InChIKeyAXEJSBWWIHAWJM-UHFFFAOYSA-N
XLogP0.93
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine
CID 167717212
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862
1-(4-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117319983
5-(4-methoxy-1,3-benzodioxol-5-yl)pentanoic acid
CID 13170436
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117317889
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
N-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 23258105
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 84700626
1-(4-methoxy-1,3-benzodioxol-5-yl)cyclobutan-1-amine
CID 117315660
1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine (CID 11127161) is 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine is COc1c(CCN)ccc2c1OCO2.
What is the InChIKey of 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine?
The InChIKey is AXEJSBWWIHAWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-12-9-7(4-5-11)2-3-8-10(9)14-6-13-8/h2-3H,4-6,11H2,1H3.
What are the key properties of 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine?
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine has a molecular weight of 195.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine is sourced from PubChem (CID 11127161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).