7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine

C18H21NO — CID 57012678

IUPAC7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cc2c(cc1C)CCN(c1ccccc1)CC2
InChIInChI=1S/C18H21NO/c1-14-12-15-8-10-19(17-6-4-3-5-7-17)11-9-16(15)13-18(14)20-2/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRINUOPLKILYSSY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.61
Rot. Bonds2

About 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine

7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 57012678) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID57012678
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cc2c(cc1C)CCN(c1ccccc1)CC2
InChIInChI=1S/C18H21NO/c1-14-12-15-8-10-19(17-6-4-3-5-7-17)11-9-16(15)13-18(14)20-2/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRINUOPLKILYSSY-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine (CID 57012678) is 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine is COc1cc2c(cc1C)CCN(c1ccccc1)CC2.
What is the InChIKey of 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is RINUOPLKILYSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-12-15-8-10-19(17-6-4-3-5-7-17)11-9-16(15)13-18(14)20-2/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine?
7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 267.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 57012678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).