7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C18H19F2N — CID 11392054

IUPAC7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(Cc3ccc(F)cc3F)cc21
InChIInChI=1S/C18H19F2N/c1-12-11-21-7-6-14-3-2-13(9-17(12)14)8-15-4-5-16(19)10-18(15)20/h2-5,9-10,12,21H,6-8,11H2,1H3
InChIKeyVZDWIVNHSUFHEF-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.80
Rot. Bonds2

About 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 11392054) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID11392054
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(Cc3ccc(F)cc3F)cc21
InChIInChI=1S/C18H19F2N/c1-12-11-21-7-6-14-3-2-13(9-17(12)14)8-15-4-5-16(19)10-18(15)20/h2-5,9-10,12,21H,6-8,11H2,1H3
InChIKeyVZDWIVNHSUFHEF-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-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 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 11392054) is 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is CC1CNCCc2ccc(Cc3ccc(F)cc3F)cc21.
What is the InChIKey of 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is VZDWIVNHSUFHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12-11-21-7-6-14-3-2-13(9-17(12)14)8-15-4-5-16(19)10-18(15)20/h2-5,9-10,12,21H,6-8,11H2,1H3.
What are the key properties of 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 287.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 11392054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).