3-ethoxy-4,5-dimethyl-1H-2-benzazepine

C14H17NO — CID 15047409

IUPAC3-ethoxy-4,5-dimethyl-1H-2-benzazepine
SMILESCCOC1=NCc2ccccc2C(C)=C1C
InChIInChI=1S/C14H17NO/c1-4-16-14-11(3)10(2)13-8-6-5-7-12(13)9-15-14/h5-8H,4,9H2,1-3H3
InChIKeyJRUMDALKTUUABG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.43
Rot. Bonds1

About 3-ethoxy-4,5-dimethyl-1H-2-benzazepine

3-ethoxy-4,5-dimethyl-1H-2-benzazepine (PubChem CID 15047409) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-ethoxy-4,5-dimethyl-1H-2-benzazepine.

Molecular Properties

Compound Name3-ethoxy-4,5-dimethyl-1H-2-benzazepine
PubChem CID15047409
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-ethoxy-4,5-dimethyl-1H-2-benzazepine
SMILESCCOC1=NCc2ccccc2C(C)=C1C
InChIInChI=1S/C14H17NO/c1-4-16-14-11(3)10(2)13-8-6-5-7-12(13)9-15-14/h5-8H,4,9H2,1-3H3
InChIKeyJRUMDALKTUUABG-UHFFFAOYSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,5-dimethyl-1H-2-benzazepine?
The IUPAC name of 3-ethoxy-4,5-dimethyl-1H-2-benzazepine (CID 15047409) is 3-ethoxy-4,5-dimethyl-1H-2-benzazepine.
What is the SMILES notation for 3-ethoxy-4,5-dimethyl-1H-2-benzazepine?
The canonical SMILES for 3-ethoxy-4,5-dimethyl-1H-2-benzazepine is CCOC1=NCc2ccccc2C(C)=C1C.
What is the InChIKey of 3-ethoxy-4,5-dimethyl-1H-2-benzazepine?
The InChIKey is JRUMDALKTUUABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-16-14-11(3)10(2)13-8-6-5-7-12(13)9-15-14/h5-8H,4,9H2,1-3H3.
What are the key properties of 3-ethoxy-4,5-dimethyl-1H-2-benzazepine?
3-ethoxy-4,5-dimethyl-1H-2-benzazepine has a molecular weight of 215.30 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,5-dimethyl-1H-2-benzazepine is sourced from PubChem (CID 15047409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).