5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C17H19N — CID 11310932

IUPAC5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H19N/c1-13-12-18-10-9-15-7-8-16(11-17(13)15)14-5-3-2-4-6-14/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyFBEVQUNUQVGMAW-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.60
Rot. Bonds1

About 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 11310932) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID11310932
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC1CNCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H19N/c1-13-12-18-10-9-15-7-8-16(11-17(13)15)14-5-3-2-4-6-14/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyFBEVQUNUQVGMAW-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 11310932) is 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is CC1CNCCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is FBEVQUNUQVGMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-12-18-10-9-15-7-8-16(11-17(13)15)14-5-3-2-4-6-14/h2-8,11,13,18H,9-10,12H2,1H3.
What are the key properties of 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 237.35 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 11310932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).