(7-bromo-1,3-benzodioxol-5-yl)methanamine

C8H8BrNO2 — CID 43143793

IUPAC(7-bromo-1,3-benzodioxol-5-yl)methanamine
SMILESNCc1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C8H8BrNO2/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2H,3-4,10H2
InChIKeyZIQQORINAWIECM-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.64
Rot. Bonds1

About (7-bromo-1,3-benzodioxol-5-yl)methanamine

(7-bromo-1,3-benzodioxol-5-yl)methanamine (PubChem CID 43143793) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is (7-bromo-1,3-benzodioxol-5-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-1,3-benzodioxol-5-yl)methanamine
PubChem CID43143793
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name(7-bromo-1,3-benzodioxol-5-yl)methanamine
SMILESNCc1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C8H8BrNO2/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2H,3-4,10H2
InChIKeyZIQQORINAWIECM-UHFFFAOYSA-N
XLogP1.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-bromo-1,3-benzodioxol-5-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)methanamine?
The IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)methanamine (CID 43143793) is (7-bromo-1,3-benzodioxol-5-yl)methanamine.
What is the SMILES notation for (7-bromo-1,3-benzodioxol-5-yl)methanamine?
The canonical SMILES for (7-bromo-1,3-benzodioxol-5-yl)methanamine is NCc1cc(Br)c2c(c1)OCO2.
What is the InChIKey of (7-bromo-1,3-benzodioxol-5-yl)methanamine?
The InChIKey is ZIQQORINAWIECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2H,3-4,10H2.
What are the key properties of (7-bromo-1,3-benzodioxol-5-yl)methanamine?
(7-bromo-1,3-benzodioxol-5-yl)methanamine has a molecular weight of 230.06 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1,3-benzodioxol-5-yl)methanamine is sourced from PubChem (CID 43143793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).