5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

C13H19NO — CID 154454244

IUPAC5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCCC1CNCCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO/c1-3-10-9-14-7-6-11-8-12(15-2)4-5-13(10)11/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyPCXIMVHXDIGESU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.33
Rot. Bonds2

About 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 154454244) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID154454244
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCCC1CNCCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO/c1-3-10-9-14-7-6-11-8-12(15-2)4-5-13(10)11/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyPCXIMVHXDIGESU-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248
7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127533
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105477768
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
8-butoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
CID 130306818
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
1-(5-ethyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
CID 22292778
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 154454244) is 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine is CCC1CNCCc2cc(OC)ccc21.
What is the InChIKey of 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is PCXIMVHXDIGESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-10-9-14-7-6-11-8-12(15-2)4-5-13(10)11/h4-5,8,10,14H,3,6-7,9H2,1-2H3.
What are the key properties of 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 205.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 154454244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).