5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine

C12H17NO — CID 141149010

IUPAC5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
SMILESCOC1(C)CNCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-12(14-2)9-13-8-7-10-5-3-4-6-11(10)12/h3-6,13H,7-9H2,1-2H3
InChIKeyWXPPXLZJLVWVDM-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.69
Rot. Bonds1

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

5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine (PubChem CID 141149010) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
PubChem CID141149010
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
SMILESCOC1(C)CNCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-12(14-2)9-13-8-7-10-5-3-4-6-11(10)12/h3-6,13H,7-9H2,1-2H3
InChIKeyWXPPXLZJLVWVDM-UHFFFAOYSA-N
XLogP1.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine?
The IUPAC name of 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine (CID 141149010) is 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine.
What is the SMILES notation for 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine?
The canonical SMILES for 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine is COC1(C)CNCCc2ccccc21.
What is the InChIKey of 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine?
The InChIKey is WXPPXLZJLVWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(14-2)9-13-8-7-10-5-3-4-6-11(10)12/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine?
5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine has a molecular weight of 191.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine is sourced from PubChem (CID 141149010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).