7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine

C18H19Br2N — CID 132501000

IUPAC7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
SMILESCC1(C)CCC(c2ccc(Br)cc2)Nc2ccc(Br)cc21
InChIInChI=1S/C18H19Br2N/c1-18(2)10-9-16(12-3-5-13(19)6-4-12)21-17-8-7-14(20)11-15(17)18/h3-8,11,16,21H,9-10H2,1-2H3
InChIKeyPTGHVWZASWDQPX-UHFFFAOYSA-N
MW409.17 g/mol
LogP6.44
Rot. Bonds1

About 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine

7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine (PubChem CID 132501000) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
PubChem CID132501000
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC Name7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine
SMILESCC1(C)CCC(c2ccc(Br)cc2)Nc2ccc(Br)cc21
InChIInChI=1S/C18H19Br2N/c1-18(2)10-9-16(12-3-5-13(19)6-4-12)21-17-8-7-14(20)11-15(17)18/h3-8,11,16,21H,9-10H2,1-2H3
InChIKeyPTGHVWZASWDQPX-UHFFFAOYSA-N
XLogP6.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-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 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
The IUPAC name of 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine (CID 132501000) is 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine.
What is the SMILES notation for 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
The canonical SMILES for 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine is CC1(C)CCC(c2ccc(Br)cc2)Nc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
The InChIKey is PTGHVWZASWDQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N/c1-18(2)10-9-16(12-3-5-13(19)6-4-12)21-17-8-7-14(20)11-15(17)18/h3-8,11,16,21H,9-10H2,1-2H3.
What are the key properties of 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine?
7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine has a molecular weight of 409.17 g/mol, XLogP of 6.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-bromophenyl)-5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepine is sourced from PubChem (CID 132501000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).