1-phenylmethoxy-1-benzazepine

C17H15NO — CID 90418313

IUPAC1-phenylmethoxy-1-benzazepine
SMILESC1=Cc2ccccc2N(OCc2ccccc2)C=C1
InChIInChI=1S/C17H15NO/c1-2-8-15(9-3-1)14-19-18-13-7-6-11-16-10-4-5-12-17(16)18/h1-13H,14H2
InChIKeyOLBDEAJZPVXSIC-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.17
Rot. Bonds3

About 1-phenylmethoxy-1-benzazepine

1-phenylmethoxy-1-benzazepine (PubChem CID 90418313) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-phenylmethoxy-1-benzazepine.

Molecular Properties

Compound Name1-phenylmethoxy-1-benzazepine
PubChem CID90418313
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-phenylmethoxy-1-benzazepine
SMILESC1=Cc2ccccc2N(OCc2ccccc2)C=C1
InChIInChI=1S/C17H15NO/c1-2-8-15(9-3-1)14-19-18-13-7-6-11-16-10-4-5-12-17(16)18/h1-13H,14H2
InChIKeyOLBDEAJZPVXSIC-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-1-benzazepine?
The IUPAC name of 1-phenylmethoxy-1-benzazepine (CID 90418313) is 1-phenylmethoxy-1-benzazepine.
What is the SMILES notation for 1-phenylmethoxy-1-benzazepine?
The canonical SMILES for 1-phenylmethoxy-1-benzazepine is C1=Cc2ccccc2N(OCc2ccccc2)C=C1.
What is the InChIKey of 1-phenylmethoxy-1-benzazepine?
The InChIKey is OLBDEAJZPVXSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-8-15(9-3-1)14-19-18-13-7-6-11-16-10-4-5-12-17(16)18/h1-13H,14H2.
What are the key properties of 1-phenylmethoxy-1-benzazepine?
1-phenylmethoxy-1-benzazepine has a molecular weight of 249.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-1-benzazepine is sourced from PubChem (CID 90418313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).