7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine

C17H19NO — CID 57042717

IUPAC7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)CC2
InChIInChI=1S/C17H19NO/c1-19-17-8-7-14-9-11-18(12-10-15(14)13-17)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyDQSBVKXURUIBTB-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.30
Rot. Bonds2

About 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine

7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 57042717) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID57042717
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)CC2
InChIInChI=1S/C17H19NO/c1-19-17-8-7-14-9-11-18(12-10-15(14)13-17)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyDQSBVKXURUIBTB-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57012678
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
CID 134130901
2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile
CID 72911571
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
1-[6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 72891406

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine (CID 57042717) is 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine is COc1ccc2c(c1)CCN(c1ccccc1)CC2.
What is the InChIKey of 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is DQSBVKXURUIBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-17-8-7-14-9-11-18(12-10-15(14)13-17)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3.
What are the key properties of 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 253.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 57042717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).