1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine

C18H21NO2 — CID 61033726

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO2/c1-3-19-13(2)15-6-4-5-7-16(15)14-8-9-17-18(12-14)21-11-10-20-17/h4-9,12-13,19H,3,10-11H2,1-2H3
InChIKeyMJTZAORUHQBSPF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine (PubChem CID 61033726) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine
PubChem CID61033726
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO2/c1-3-19-13(2)15-6-4-5-7-16(15)14-8-9-17-18(12-14)21-11-10-20-17/h4-9,12-13,19H,3,10-11H2,1-2H3
InChIKeyMJTZAORUHQBSPF-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
CID 63020950
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
1-[2-(2,4-dimethylphenyl)phenyl]-N-ethylethanamine
CID 55110501
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
CID 116545311
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 43490475
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64542685
6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 138488049
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658
[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
CID 164615718
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine
CID 62201527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine (CID 61033726) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine?
The InChIKey is MJTZAORUHQBSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19-13(2)15-6-4-5-7-16(15)14-8-9-17-18(12-14)21-11-10-20-17/h4-9,12-13,19H,3,10-11H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 61033726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).