2-(1,3-benzodioxol-5-yl)-N-methylethanamine

C10H13NO2 — CID 10776

💊View drug profile → homarylamine
IUPAC2-(1,3-benzodioxol-5-yl)-N-methylethanamine
SMILESCNCCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO2/c1-11-5-4-8-2-3-9-10(6-8)13-7-12-9/h2-3,6,11H,4-5,7H2,1H3
InChIKeyOPJOMVMFYOUDPK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.18
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-methylethanamine

2-(1,3-benzodioxol-5-yl)-N-methylethanamine (PubChem CID 10776) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-methylethanamine
PubChem CID10776
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-methylethanamine
SMILESCNCCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO2/c1-11-5-4-8-2-3-9-10(6-8)13-7-12-9/h2-3,6,11H,4-5,7H2,1H3
InChIKeyOPJOMVMFYOUDPK-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Dihydrosafrole
CID 7197
Mdai
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1-Piperonylpiperazine
CID 94426
3-Methoxy-4,5-methylenedioxyamphetamine
CID 26175
N-Methyl-3,4-methylenedioxyamphetamine Hydrochloride
CID 71285
(+)-3,4-(Methylenedioxy)amphetamine
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3,4-Mdpa
CID 559375
Benzo-1,3-dioxole-5-methylamine
CID 75799

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methylethanamine (CID 10776) is 2-(1,3-benzodioxol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-methylethanamine is CNCCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-methylethanamine?
The InChIKey is OPJOMVMFYOUDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-5-4-8-2-3-9-10(6-8)13-7-12-9/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-methylethanamine?
2-(1,3-benzodioxol-5-yl)-N-methylethanamine has a molecular weight of 179.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-methylethanamine is sourced from PubChem (CID 10776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).