7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine

C12H15NO2 — CID 23168410

IUPAC7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine
SMILESCOCOc1ccc2c(c1)CC=CCN2
InChIInChI=1S/C12H15NO2/c1-14-9-15-11-5-6-12-10(8-11)4-2-3-7-13-12/h2-3,5-6,8,13H,4,7,9H2,1H3
InChIKeyYBMFSNHTZNISSU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.19
Rot. Bonds3

About 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine

7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine (PubChem CID 23168410) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine.

Molecular Properties

Compound Name7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine
PubChem CID23168410
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine
SMILESCOCOc1ccc2c(c1)CC=CCN2
InChIInChI=1S/C12H15NO2/c1-14-9-15-11-5-6-12-10(8-11)4-2-3-7-13-12/h2-3,5-6,8,13H,4,7,9H2,1H3
InChIKeyYBMFSNHTZNISSU-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine?
The IUPAC name of 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine (CID 23168410) is 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine.
What is the SMILES notation for 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine?
The canonical SMILES for 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine is COCOc1ccc2c(c1)CC=CCN2.
What is the InChIKey of 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine?
The InChIKey is YBMFSNHTZNISSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-14-9-15-11-5-6-12-10(8-11)4-2-3-7-13-12/h2-3,5-6,8,13H,4,7,9H2,1H3.
What are the key properties of 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine?
7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine has a molecular weight of 205.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine is sourced from PubChem (CID 23168410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).