4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine

C25H23NO — CID 15047408

IUPAC4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C=C1Cc1ccccc1
InChIInChI=1S/C25H23NO/c1-2-27-25-22(17-19-11-5-3-6-12-19)18-21-15-9-10-16-23(21)24(26-25)20-13-7-4-8-14-20/h3-16,18,24H,2,17H2,1H3
InChIKeyNBKBFXNMQKMIAB-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.85
Rot. Bonds4

About 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine

4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine (PubChem CID 15047408) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine.

Molecular Properties

Compound Name4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine
PubChem CID15047408
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C=C1Cc1ccccc1
InChIInChI=1S/C25H23NO/c1-2-27-25-22(17-19-11-5-3-6-12-19)18-21-15-9-10-16-23(21)24(26-25)20-13-7-4-8-14-20/h3-16,18,24H,2,17H2,1H3
InChIKeyNBKBFXNMQKMIAB-UHFFFAOYSA-N
XLogP5.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methoxy-5H-dibenz(c,E)azepine
CID 375835
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine
CID 11076735
2-(2,6-Difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 9950228
2-(2,6-Difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 22083959
2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
CID 53742774
4-[4-(4-Methylphenyl)phenyl]-2-(2,3,6-trifluorophenyl)-4,5-dihydro-1,3-oxazole
CID 53893647
4-(4-Ethylphenyl)-2-(2-fluoro-6-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 166985590
(4R,5R)-2,4,5-triphenyl-4,5-dihydro-1,3-oxazole
CID 12480108
3-Ethoxy-4-methyl-1H-2-benzazepine
CID 15047405
1-phenyl-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 101731359
5-Ethoxy-2,2,3-triphenylpyrrole
CID 102457373

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine?
The IUPAC name of 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine (CID 15047408) is 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine.
What is the SMILES notation for 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine?
The canonical SMILES for 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine is CCOC1=NC(c2ccccc2)c2ccccc2C=C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine?
The InChIKey is NBKBFXNMQKMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-2-27-25-22(17-19-11-5-3-6-12-19)18-21-15-9-10-16-23(21)24(26-25)20-13-7-4-8-14-20/h3-16,18,24H,2,17H2,1H3.
What are the key properties of 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine?
4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine has a molecular weight of 353.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine is sourced from PubChem (CID 15047408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).