1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine

C11H15NO4 — CID 82711940

IUPAC1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cccc2c1OCO2
InChIInChI=1S/C11H15NO4/c1-13-5-6-16-12-7-9-3-2-4-10-11(9)15-8-14-10/h2-4,12H,5-8H2,1H3
InChIKeyKENRMYOVXBOFDQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.08
Rot. Bonds6

About 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine

1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine (PubChem CID 82711940) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
PubChem CID82711940
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cccc2c1OCO2
InChIInChI=1S/C11H15NO4/c1-13-5-6-16-12-7-9-3-2-4-10-11(9)15-8-14-10/h2-4,12H,5-8H2,1H3
InChIKeyKENRMYOVXBOFDQ-UHFFFAOYSA-N
XLogP1.08
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine 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

1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802463
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
CID 47372906
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825
N-(1,3-benzodioxol-4-ylmethyl)-1-methylcyclopent-3-en-1-amine
CID 167922399
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61168746
2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 79348889

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine (CID 82711940) is 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine is COCCONCc1cccc2c1OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine?
The InChIKey is KENRMYOVXBOFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-13-5-6-16-12-7-9-3-2-4-10-11(9)15-8-14-10/h2-4,12H,5-8H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine?
1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine has a molecular weight of 225.24 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 82711940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).