N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine

C11H14BrNO2 — CID 60685789

IUPACN-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
SMILESCCNCc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H14BrNO2/c1-2-13-7-8-5-10-11(6-9(8)12)15-4-3-14-10/h5-6,13H,2-4,7H2,1H3
InChIKeyMQXWONUKCVFWKS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.33
Rot. Bonds3

About N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine

N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine (PubChem CID 60685789) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
PubChem CID60685789
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
SMILESCCNCc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H14BrNO2/c1-2-13-7-8-5-10-11(6-9(8)12)15-4-3-14-10/h5-6,13H,2-4,7H2,1H3
InChIKeyMQXWONUKCVFWKS-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]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

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methoxyethanamine
CID 43391894
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904498
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,2-difluoroethanamine
CID 115405665
methyl 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]propanoate
CID 43393596
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methyloctan-1-amine
CID 43391945
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethylsulfinylethanamine
CID 113237593
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60658073
(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine
CID 16772287
1-(6-bromo-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 115279443
N'-[(6-bromo-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 60887613
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-fluoropropan-1-amine
CID 115733052
4-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125210

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine?
The IUPAC name of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine (CID 60685789) is N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine is CCNCc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine?
The InChIKey is MQXWONUKCVFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-13-7-8-5-10-11(6-9(8)12)15-4-3-14-10/h5-6,13H,2-4,7H2,1H3.
What are the key properties of N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine?
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine has a molecular weight of 272.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine is sourced from PubChem (CID 60685789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).