5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine

C12H16FNO — CID 84722917

IUPAC5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
SMILESCOc1cccc2c1C(C)(F)CCNC2
InChIInChI=1S/C12H16FNO/c1-12(13)6-7-14-8-9-4-3-5-10(15-2)11(9)12/h3-5,14H,6-8H2,1-2H3
InChIKeyHMCAYJJRHMCHCN-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.37
Rot. Bonds1

About 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine

5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine (PubChem CID 84722917) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
PubChem CID84722917
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
SMILESCOc1cccc2c1C(C)(F)CCNC2
InChIInChI=1S/C12H16FNO/c1-12(13)6-7-14-8-9-4-3-5-10(15-2)11(9)12/h3-5,14H,6-8H2,1-2H3
InChIKeyHMCAYJJRHMCHCN-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-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-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
The IUPAC name of 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine (CID 84722917) is 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine.
What is the SMILES notation for 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
The canonical SMILES for 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine is COc1cccc2c1C(C)(F)CCNC2.
What is the InChIKey of 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
The InChIKey is HMCAYJJRHMCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(13)6-7-14-8-9-4-3-5-10(15-2)11(9)12/h3-5,14H,6-8H2,1-2H3.
What are the key properties of 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine has a molecular weight of 209.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine is sourced from PubChem (CID 84722917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).