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

C13H19NO — CID 86703343

IUPAC1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
SMILESCCN1CCCCc2ccc(OC)cc21
InChIInChI=1S/C13H19NO/c1-3-14-9-5-4-6-11-7-8-12(15-2)10-13(11)14/h7-8,10H,3-6,9H2,1-2H3
InChIKeyAZYSDCZEVFHGSM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.86
Rot. Bonds2

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

1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 86703343) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID86703343
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
SMILESCCN1CCCCc2ccc(OC)cc21
InChIInChI=1S/C13H19NO/c1-3-14-9-5-4-6-11-7-8-12(15-2)10-13(11)14/h7-8,10H,3-6,9H2,1-2H3
InChIKeyAZYSDCZEVFHGSM-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82241461
N-hydroxy-4-[(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889610
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline
CID 59556813
1-butan-2-yl-6-methoxy-2,3-dihydroindole
CID 134369277
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
1-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)prop-2-en-1-one
CID 139020307
1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82242175
7-methoxy-1,2-dimethyl-3,4-dihydrocinnoline
CID 58095808

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine (CID 86703343) is 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine is CCN1CCCCc2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is AZYSDCZEVFHGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-9-5-4-6-11-7-8-12(15-2)10-13(11)14/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 205.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 86703343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).