(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine

C10H13NO3 — CID 93341356

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
SMILESCO[C@@H](CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-12-10(5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1
InChIKeyKUTKTMOZFCYDLZ-JTQLQIEISA-N
MW195.22 g/mol
LogP1.06
Rot. Bonds3

About (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine

(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine (PubChem CID 93341356) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
PubChem CID93341356
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
SMILESCO[C@@H](CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-12-10(5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1
InChIKeyKUTKTMOZFCYDLZ-JTQLQIEISA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol
CID 102028593
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
2-(1,3-benzodioxol-5-yl)-2-pyrrol-1-ylethanamine
CID 82021304
1-(1,3-benzodioxol-5-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912624
1-(1,3-benzodioxol-5-yl)-1-methoxypropan-2-one
CID 14794258
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
1,3-benzodioxol-5-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198322
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832
2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine (CID 93341356) is (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine is CO[C@@H](CN)c1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine?
The InChIKey is KUTKTMOZFCYDLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO3/c1-12-10(5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine?
(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine has a molecular weight of 195.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine is sourced from PubChem (CID 93341356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).