1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine

C11H15NO3 — CID 117298689

IUPAC1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine
SMILESCOCc1c(C(C)N)ccc2c1OCO2
InChIInChI=1S/C11H15NO3/c1-7(12)8-3-4-10-11(15-6-14-10)9(8)5-13-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyFAXRWTGKRNIQRP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.58
Rot. Bonds3

About 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine

1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine (PubChem CID 117298689) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine
PubChem CID117298689
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine
SMILESCOCc1c(C(C)N)ccc2c1OCO2
InChIInChI=1S/C11H15NO3/c1-7(12)8-3-4-10-11(15-6-14-10)9(8)5-13-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyFAXRWTGKRNIQRP-UHFFFAOYSA-N
XLogP1.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
2-amino-1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanone
CID 117319352
2-[5-(methoxymethyl)-1,3-benzodioxol-4-yl]acetic acid
CID 117321473
O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146
1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 22214795
2-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]-2-methylpyrrolidine
CID 117376091
2-(4-bromo-1,3-benzodioxol-5-yl)propan-1-amine
CID 117398356
1-(7-fluoro-1,3-benzodioxol-4-yl)ethanamine
CID 117279375
[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
CID 117472649
1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117396524
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951
1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84657265

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine (CID 117298689) is 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine is COCc1c(C(C)N)ccc2c1OCO2.
What is the InChIKey of 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine?
The InChIKey is FAXRWTGKRNIQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(12)8-3-4-10-11(15-6-14-10)9(8)5-13-2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine?
1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine has a molecular weight of 209.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine is sourced from PubChem (CID 117298689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).