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

C16H19NOS — CID 67380682

IUPAC7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cc2c(cc1-c1cccs1)CCN(C)CC2
InChIInChI=1S/C16H19NOS/c1-17-7-5-12-10-14(16-4-3-9-19-16)15(18-2)11-13(12)6-8-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLVWPUCQDQUZDIE-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.45
Rot. Bonds2

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

7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 67380682) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID67380682
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cc2c(cc1-c1cccs1)CCN(C)CC2
InChIInChI=1S/C16H19NOS/c1-17-7-5-12-10-14(16-4-3-9-19-16)15(18-2)11-13(12)6-8-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLVWPUCQDQUZDIE-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine (CID 67380682) is 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine is COc1cc2c(cc1-c1cccs1)CCN(C)CC2.
What is the InChIKey of 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is LVWPUCQDQUZDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-17-7-5-12-10-14(16-4-3-9-19-16)15(18-2)11-13(12)6-8-17/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 273.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-8-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 67380682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).