6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine

C13H16BrNO2 — CID 43681820

IUPAC6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(Nc1cc2c(cc1Br)OCCO2)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-8(9-2-3-9)15-11-7-13-12(6-10(11)14)16-4-5-17-13/h6-9,15H,2-5H2,1H3
InChIKeyGMFGNAYNIRJDGG-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.43
Rot. Bonds3

About 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine

6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43681820) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43681820
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(Nc1cc2c(cc1Br)OCCO2)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-8(9-2-3-9)15-11-7-13-12(6-10(11)14)16-4-5-17-13/h6-9,15H,2-5H2,1H3
InChIKeyGMFGNAYNIRJDGG-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43681754
6-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63426677
6-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43681742
6-bromo-N-[1-(3-bromophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43681824
2-bromo-N-(1-cyclopropylethyl)-4-methyl-5-nitroaniline
CID 113456266
6-bromo-N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102613385
3-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]ethyl]phenol
CID 43681827
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 107903641
6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63085271
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43681820) is 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine is CC(Nc1cc2c(cc1Br)OCCO2)C1CC1.
What is the InChIKey of 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is GMFGNAYNIRJDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8(9-2-3-9)15-11-7-13-12(6-10(11)14)16-4-5-17-13/h6-9,15H,2-5H2,1H3.
What are the key properties of 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 298.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43681820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).