7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol

C15H15NO2 — CID 159768943

IUPAC7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol
SMILESNCC1(O)COc2ccccc2-c2ccccc21
InChIInChI=1S/C15H15NO2/c16-9-15(17)10-18-14-8-4-2-6-12(14)11-5-1-3-7-13(11)15/h1-8,17H,9-10,16H2
InChIKeyNFWDBMLYTFRPFJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.89
Rot. Bonds1

About 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol

7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol (PubChem CID 159768943) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol.

Molecular Properties

Compound Name7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol
PubChem CID159768943
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol
SMILESNCC1(O)COc2ccccc2-c2ccccc21
InChIInChI=1S/C15H15NO2/c16-9-15(17)10-18-14-8-4-2-6-12(14)11-5-1-3-7-13(11)15/h1-8,17H,9-10,16H2
InChIKeyNFWDBMLYTFRPFJ-UHFFFAOYSA-N
XLogP1.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol 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-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol?
The IUPAC name of 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol (CID 159768943) is 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol.
What is the SMILES notation for 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol?
The canonical SMILES for 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol is NCC1(O)COc2ccccc2-c2ccccc21.
What is the InChIKey of 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol?
The InChIKey is NFWDBMLYTFRPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-9-15(17)10-18-14-8-4-2-6-12(14)11-5-1-3-7-13(11)15/h1-8,17H,9-10,16H2.
What are the key properties of 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol?
7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol has a molecular weight of 241.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol is sourced from PubChem (CID 159768943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).