9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

C11H16N2O — CID 83818191

IUPAC9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESCCOc1cccc2c1NCCNC2
InChIInChI=1S/C11H16N2O/c1-2-14-10-5-3-4-9-8-12-6-7-13-11(9)10/h3-5,12-13H,2,6-8H2,1H3
InChIKeyOFMAXJYVLLODJX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.60
Rot. Bonds2

About 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (PubChem CID 83818191) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
PubChem CID83818191
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESCCOc1cccc2c1NCCNC2
InChIInChI=1S/C11H16N2O/c1-2-14-10-5-3-4-9-8-12-6-7-13-11(9)10/h3-5,12-13H,2,6-8H2,1H3
InChIKeyOFMAXJYVLLODJX-UHFFFAOYSA-N
XLogP1.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075693
8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076184
7-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074940
5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 105356216
N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
CID 61026655
6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 115015195
N-ethyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 62324258
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
7,9-dimethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 83820473
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 160634725

Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The IUPAC name of 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (CID 83818191) is 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The canonical SMILES for 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is CCOc1cccc2c1NCCNC2.
What is the InChIKey of 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The InChIKey is OFMAXJYVLLODJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-14-10-5-3-4-9-8-12-6-7-13-11(9)10/h3-5,12-13H,2,6-8H2,1H3.
What are the key properties of 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine has a molecular weight of 192.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 83818191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).