2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine

C14H21NO4 — CID 63060851

IUPAC2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine
SMILESCOCCNCc1cc2c(cc1OC(C)C)OCO2
InChIInChI=1S/C14H21NO4/c1-10(2)19-12-7-14-13(17-9-18-14)6-11(12)8-15-4-5-16-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyJYHOQPIWLTUJJQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.94
Rot. Bonds7

About 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine

2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine (PubChem CID 63060851) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine
PubChem CID63060851
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine
SMILESCOCCNCc1cc2c(cc1OC(C)C)OCO2
InChIInChI=1S/C14H21NO4/c1-10(2)19-12-7-14-13(17-9-18-14)6-11(12)8-15-4-5-16-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyJYHOQPIWLTUJJQ-UHFFFAOYSA-N
XLogP1.94
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-[(2-methoxyethylamino)methyl]-1,3-benzodioxol-5-yl]oxy]butanenitrile
CID 63060318
2-methoxy-N-[(6-prop-2-ynoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 63059599
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methoxyethanamine
CID 43391894
2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
CID 63556774
2-methoxy-N-[(6-pent-3-ynoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 104805099
1-[6-(3-methoxypropoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 55011917
N-[(6-butoxy-1,3-benzodioxol-5-yl)methyl]propan-1-amine
CID 55011771
2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
CID 55012394
N-methyl-1-[6-(2-propan-2-yloxyethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 55012013
N-[[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]methyl]-2-methylpropan-1-amine
CID 63061031
1-methoxy-3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propan-2-ol
CID 63931069
methyl 3-[[6-(propylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanoate
CID 63949508

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine (CID 63060851) is 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine is COCCNCc1cc2c(cc1OC(C)C)OCO2.
What is the InChIKey of 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
The InChIKey is JYHOQPIWLTUJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(2)19-12-7-14-13(17-9-18-14)6-11(12)8-15-4-5-16-3/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine?
2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine has a molecular weight of 267.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-propan-2-yloxy-1,3-benzodioxol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63060851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).