N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine

C11H15NO2 — CID 3710308

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
SMILESCCNCc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO2/c1-2-12-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyBJWLBBRWMXCZLV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.57
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine (PubChem CID 3710308) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
PubChem CID3710308
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
SMILESCCNCc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO2/c1-2-12-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyBJWLBBRWMXCZLV-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propan-2-ol
CID 29187822
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
1-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913044
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 81414096
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
CID 17056671
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethylamino]propan-2-ol
CID 17056661
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-(ethylamino)acetamide
CID 115157869
2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]butanoic acid
CID 115249892
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 60925597
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine (CID 3710308) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine is CCNCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine?
The InChIKey is BJWLBBRWMXCZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine is sourced from PubChem (CID 3710308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).