5-ethyl-1,3-benzodioxole;N-methylethanamine

C12H19NO2 — CID 158103316

IUPAC5-ethyl-1,3-benzodioxole;N-methylethanamine
SMILESCCNC.CCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H10O2.C3H9N/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-3-4-2/h3-5H,2,6H2,1H3;4H,3H2,1-2H3
InChIKeyFPNMXENHQBUSHD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.20
Rot. Bonds2

About 5-ethyl-1,3-benzodioxole;N-methylethanamine

5-ethyl-1,3-benzodioxole;N-methylethanamine (PubChem CID 158103316) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-ethyl-1,3-benzodioxole;N-methylethanamine.

Molecular Properties

Compound Name5-ethyl-1,3-benzodioxole;N-methylethanamine
PubChem CID158103316
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-ethyl-1,3-benzodioxole;N-methylethanamine
SMILESCCNC.CCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H10O2.C3H9N/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-3-4-2/h3-5H,2,6H2,1H3;4H,3H2,1-2H3
InChIKeyFPNMXENHQBUSHD-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
(2R)-1-(1,3-benzodioxol-5-yl)-N-ethylbutan-2-amine
CID 93341377
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
2-(1,3-benzodioxol-5-ylmethoxy)-N-methylbutan-1-amine
CID 55077500
N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenesulfonamide
CID 3751192
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-benzodioxole;N-methylethanamine?
The IUPAC name of 5-ethyl-1,3-benzodioxole;N-methylethanamine (CID 158103316) is 5-ethyl-1,3-benzodioxole;N-methylethanamine.
What is the SMILES notation for 5-ethyl-1,3-benzodioxole;N-methylethanamine?
The canonical SMILES for 5-ethyl-1,3-benzodioxole;N-methylethanamine is CCNC.CCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-ethyl-1,3-benzodioxole;N-methylethanamine?
The InChIKey is FPNMXENHQBUSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C3H9N/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-3-4-2/h3-5H,2,6H2,1H3;4H,3H2,1-2H3.
What are the key properties of 5-ethyl-1,3-benzodioxole;N-methylethanamine?
5-ethyl-1,3-benzodioxole;N-methylethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-benzodioxole;N-methylethanamine is sourced from PubChem (CID 158103316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).