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

C19H19NO — CID 11076735

IUPAC3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C=C1C
InChIInChI=1S/C19H19NO/c1-3-21-19-14(2)13-16-11-7-8-12-17(16)18(20-19)15-9-5-4-6-10-15/h4-13,18H,3H2,1-2H3
InChIKeyJFCIMYMLVAJYFV-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.63
Rot. Bonds2

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

3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine (PubChem CID 11076735) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine
PubChem CID11076735
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C=C1C
InChIInChI=1S/C19H19NO/c1-3-21-19-14(2)13-16-11-7-8-12-17(16)18(20-19)15-9-5-4-6-10-15/h4-13,18H,3H2,1-2H3
InChIKeyJFCIMYMLVAJYFV-UHFFFAOYSA-N
XLogP4.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
3-Ethoxy-5-methyl-1H-2-benzazepine
CID 15047404
4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine
CID 15047408
3-Ethoxy-4-methyl-1H-2-benzazepine
CID 15047405
3-Methoxy-1H-2-benzazepine
CID 71443618
4-tert-butyl-7-methoxy-2-phenyl-2H-azepine
CID 86083582
4-butyl-3-phenyl-3H-2-benzazepine
CID 102273814
5-Ethoxy-2,2,3-triphenylpyrrole
CID 102457373
ethyl (E)-3-benzyl-4-(1-phenylethylimino)pent-2-enoate
CID 134923810
2-Phenyl-4-(o-tolyl)-4,5-dihydrooxazole
CID 146025911
2H-Pyran-3-aldimien, 5,6-dihydro-N-(1-phenylethyl)-
CID 571134
3-Ethoxy-4,5-dimethyl-1H-2-benzazepine
CID 15047409

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine?
The IUPAC name of 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine (CID 11076735) is 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine.
What is the SMILES notation for 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine?
The canonical SMILES for 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine is CCOC1=NC(c2ccccc2)c2ccccc2C=C1C.
What is the InChIKey of 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine?
The InChIKey is JFCIMYMLVAJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-21-19-14(2)13-16-11-7-8-12-17(16)18(20-19)15-9-5-4-6-10-15/h4-13,18H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine?
3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine has a molecular weight of 277.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1-phenyl-1H-2-benzazepine is sourced from PubChem (CID 11076735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).