6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine

C11H18N2O2 — CID 70549954

IUPAC6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine
SMILESCCc1cc2c(cc1N)OCO2.CNC
InChIInChI=1S/C9H11NO2.C2H7N/c1-2-6-3-8-9(4-7(6)10)12-5-11-8;1-3-2/h3-4H,2,5,10H2,1H3;3H,1-2H3
InChIKeyGNJKCTXVZDSTGO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.40
Rot. Bonds1

About 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine

6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine (PubChem CID 70549954) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine.

Molecular Properties

Compound Name6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine
PubChem CID70549954
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine
SMILESCCc1cc2c(cc1N)OCO2.CNC
InChIInChI=1S/C9H11NO2.C2H7N/c1-2-6-3-8-9(4-7(6)10)12-5-11-8;1-3-2/h3-4H,2,5,10H2,1H3;3H,1-2H3
InChIKeyGNJKCTXVZDSTGO-UHFFFAOYSA-N
XLogP1.40
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-ethyl-1,3-benzodioxole;ethane
CID 176955593
N-(6-amino-1,3-benzodioxol-5-yl)ethanesulfonamide
CID 43550435
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617
7-(ethylsulfonylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43444653
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
CID 19908782
7-(methylsulfinylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 61289262
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117335995
7-(propylsulfonylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43382367
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 165438493
5-(1,3-benzodioxol-4-ylmethyl)-6-ethyl-1,3-benzodioxole
CID 171509585
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine?
The IUPAC name of 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine (CID 70549954) is 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine.
What is the SMILES notation for 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine?
The canonical SMILES for 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine is CCc1cc2c(cc1N)OCO2.CNC.
What is the InChIKey of 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine?
The InChIKey is GNJKCTXVZDSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H7N/c1-2-6-3-8-9(4-7(6)10)12-5-11-8;1-3-2/h3-4H,2,5,10H2,1H3;3H,1-2H3.
What are the key properties of 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine?
6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-benzodioxol-5-amine;N-methylmethanamine is sourced from PubChem (CID 70549954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).