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

C17H17F2N — CID 11369326

IUPAC7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(-c3cc(F)ccc3F)cc21
InChIInChI=1S/C17H17F2N/c1-11-10-20-7-6-12-2-3-13(8-15(11)12)16-9-14(18)4-5-17(16)19/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyOWWBNDINNPFHTC-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.88
Rot. Bonds1

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

7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 11369326) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID11369326
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(-c3cc(F)ccc3F)cc21
InChIInChI=1S/C17H17F2N/c1-11-10-20-7-6-12-2-3-13(8-15(11)12)16-9-14(18)4-5-17(16)19/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyOWWBNDINNPFHTC-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 11369326) is 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is CC1CNCCc2ccc(-c3cc(F)ccc3F)cc21.
What is the InChIKey of 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is OWWBNDINNPFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-10-20-7-6-12-2-3-13(8-15(11)12)16-9-14(18)4-5-17(16)19/h2-5,8-9,11,20H,6-7,10H2,1H3.
What are the key properties of 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 273.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-difluorophenyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 11369326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).