2,3,5-trimethyl-3H-1-benzazepine

C13H15N — CID 15308868

IUPAC2,3,5-trimethyl-3H-1-benzazepine
SMILESCC1=CC(C)C(C)=Nc2ccccc21
InChIInChI=1S/C13H15N/c1-9-8-10(2)12-6-4-5-7-13(12)14-11(9)3/h4-9H,1-3H3
InChIKeyGUEXWQJKXSTCQF-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.83
Rot. Bonds

About 2,3,5-trimethyl-3H-1-benzazepine

2,3,5-trimethyl-3H-1-benzazepine (PubChem CID 15308868) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,3,5-trimethyl-3H-1-benzazepine.

Molecular Properties

Compound Name2,3,5-trimethyl-3H-1-benzazepine
PubChem CID15308868
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2,3,5-trimethyl-3H-1-benzazepine
SMILESCC1=CC(C)C(C)=Nc2ccccc21
InChIInChI=1S/C13H15N/c1-9-8-10(2)12-6-4-5-7-13(12)14-11(9)3/h4-9H,1-3H3
InChIKeyGUEXWQJKXSTCQF-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-3H-1-benzazepine?
The IUPAC name of 2,3,5-trimethyl-3H-1-benzazepine (CID 15308868) is 2,3,5-trimethyl-3H-1-benzazepine.
What is the SMILES notation for 2,3,5-trimethyl-3H-1-benzazepine?
The canonical SMILES for 2,3,5-trimethyl-3H-1-benzazepine is CC1=CC(C)C(C)=Nc2ccccc21.
What is the InChIKey of 2,3,5-trimethyl-3H-1-benzazepine?
The InChIKey is GUEXWQJKXSTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9-8-10(2)12-6-4-5-7-13(12)14-11(9)3/h4-9H,1-3H3.
What are the key properties of 2,3,5-trimethyl-3H-1-benzazepine?
2,3,5-trimethyl-3H-1-benzazepine has a molecular weight of 185.27 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-3H-1-benzazepine is sourced from PubChem (CID 15308868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).