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

C11H15NO2 — CID 30614

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
SMILESCCNCC1COc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-2-12-7-9-8-13-10-5-3-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYJPHXPWNPFQMGC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.44
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine (PubChem CID 30614) 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-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
PubChem CID30614
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
SMILESCCNCC1COc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-2-12-7-9-8-13-10-5-3-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYJPHXPWNPFQMGC-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxprenolol
CID 4631
Viloxazine
CID 5666
Viloxazine Hydrochloride
CID 71424
Mephenoxalone
CID 6257
Piperoxan
CID 6040
Guanoxan
CID 16564
Idazoxan
CID 54459
Oxprenolol Hydrochloride
CID 71172
Idazoxan Hydrochloride
CID 154494
WB 4101
CID 5685
H-9/64
CID 3123920
Fluparoxan
CID 72036

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine (CID 30614) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine is CCNCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The InChIKey is YJPHXPWNPFQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12-7-9-8-13-10-5-3-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.44, 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-3-ylmethyl)ethanamine is sourced from PubChem (CID 30614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).