1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol

C19H21NO2 — CID 67818347

IUPAC1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol
SMILESCC1COc2c(O)cc3c(c21)CCNCC3c1ccccc1
InChIInChI=1S/C19H21NO2/c1-12-11-22-19-17(21)9-15-14(18(12)19)7-8-20-10-16(15)13-5-3-2-4-6-13/h2-6,9,12,16,20-21H,7-8,10-11H2,1H3
InChIKeyLGYIDLSASGSVTN-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.17
Rot. Bonds1

About 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol

1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol (PubChem CID 67818347) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol.

Molecular Properties

Compound Name1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol
PubChem CID67818347
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol
SMILESCC1COc2c(O)cc3c(c21)CCNCC3c1ccccc1
InChIInChI=1S/C19H21NO2/c1-12-11-22-19-17(21)9-15-14(18(12)19)7-8-20-10-16(15)13-5-3-2-4-6-13/h2-6,9,12,16,20-21H,7-8,10-11H2,1H3
InChIKeyLGYIDLSASGSVTN-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol?
The IUPAC name of 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol (CID 67818347) is 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol.
What is the SMILES notation for 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol?
The canonical SMILES for 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol is CC1COc2c(O)cc3c(c21)CCNCC3c1ccccc1.
What is the InChIKey of 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol?
The InChIKey is LGYIDLSASGSVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-12-11-22-19-17(21)9-15-14(18(12)19)7-8-20-10-16(15)13-5-3-2-4-6-13/h2-6,9,12,16,20-21H,7-8,10-11H2,1H3.
What are the key properties of 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol?
1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol has a molecular weight of 295.38 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-2,6,7,8,9,10-hexahydro-1H-furo[2,3-i][3]benzazepin-4-ol is sourced from PubChem (CID 67818347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).