3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

C15H23NO2 — CID 103490774

IUPAC3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCCOCC(C)OC1CCc2ccccc2NC1
InChIInChI=1S/C15H23NO2/c1-3-17-11-12(2)18-14-9-8-13-6-4-5-7-15(13)16-10-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeySPSVRVCAKKCGSZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds5

About 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 103490774) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID103490774
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCCOCC(C)OC1CCc2ccccc2NC1
InChIInChI=1S/C15H23NO2/c1-3-17-11-12(2)18-14-9-8-13-6-4-5-7-15(13)16-10-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeySPSVRVCAKKCGSZ-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,2-difluoroethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314400
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314422
3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314356
2-(1-ethoxypropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103489692
(3R)-3-(4-methoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 124637397
3-(4-methylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314319
3-(3-ethylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314321
3-(3-methylbut-3-enoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314419
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
2-(1-ethoxypropan-2-yloxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103487452
3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314300
N-(2-methylpropyl)-N-pentan-3-yl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314187

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 103490774) is 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is CCOCC(C)OC1CCc2ccccc2NC1.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is SPSVRVCAKKCGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-11-12(2)18-14-9-8-13-6-4-5-7-15(13)16-10-14/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 103490774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).