10-bromobenzo[b][1]benzoxepin-3-amine

C14H10BrNO — CID 121394210

IUPAC10-bromobenzo[b][1]benzoxepin-3-amine
SMILESNc1ccc2c(c1)C=Cc1cccc(Br)c1O2
InChIInChI=1S/C14H10BrNO/c15-12-3-1-2-9-4-5-10-8-11(16)6-7-13(10)17-14(9)12/h1-8H,16H2
InChIKeyLUEJCSGXYLQARV-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.31
Rot. Bonds

About 10-bromobenzo[b][1]benzoxepin-3-amine

10-bromobenzo[b][1]benzoxepin-3-amine (PubChem CID 121394210) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 10-bromobenzo[b][1]benzoxepin-3-amine.

Molecular Properties

Compound Name10-bromobenzo[b][1]benzoxepin-3-amine
PubChem CID121394210
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name10-bromobenzo[b][1]benzoxepin-3-amine
SMILESNc1ccc2c(c1)C=Cc1cccc(Br)c1O2
InChIInChI=1S/C14H10BrNO/c15-12-3-1-2-9-4-5-10-8-11(16)6-7-13(10)17-14(9)12/h1-8H,16H2
InChIKeyLUEJCSGXYLQARV-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 10-bromobenzo[b][1]benzoxepin-3-amine 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 10-bromobenzo[b][1]benzoxepin-3-amine?
The IUPAC name of 10-bromobenzo[b][1]benzoxepin-3-amine (CID 121394210) is 10-bromobenzo[b][1]benzoxepin-3-amine.
What is the SMILES notation for 10-bromobenzo[b][1]benzoxepin-3-amine?
The canonical SMILES for 10-bromobenzo[b][1]benzoxepin-3-amine is Nc1ccc2c(c1)C=Cc1cccc(Br)c1O2.
What is the InChIKey of 10-bromobenzo[b][1]benzoxepin-3-amine?
The InChIKey is LUEJCSGXYLQARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-12-3-1-2-9-4-5-10-8-11(16)6-7-13(10)17-14(9)12/h1-8H,16H2.
What are the key properties of 10-bromobenzo[b][1]benzoxepin-3-amine?
10-bromobenzo[b][1]benzoxepin-3-amine has a molecular weight of 288.14 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromobenzo[b][1]benzoxepin-3-amine is sourced from PubChem (CID 121394210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).