8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C21H28N2O — CID 118721287

IUPAC8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCCN(CC)c1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C21H28N2O/c1-4-23(5-2)20-13-17-11-12-22(3)15-19(18(17)14-21(20)24)16-9-7-6-8-10-16/h6-10,13-14,19,24H,4-5,11-12,15H2,1-3H3
InChIKeyFJFGTZQHFSUNCX-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.86
Rot. Bonds4

About 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 118721287) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID118721287
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCCN(CC)c1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C21H28N2O/c1-4-23(5-2)20-13-17-11-12-22(3)15-19(18(17)14-21(20)24)16-9-7-6-8-10-16/h6-10,13-14,19,24H,4-5,11-12,15H2,1-3H3
InChIKeyFJFGTZQHFSUNCX-UHFFFAOYSA-N
XLogP3.86
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 118721287) is 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is CCN(CC)c1cc2c(cc1O)C(c1ccccc1)CN(C)CC2.
What is the InChIKey of 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is FJFGTZQHFSUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-23(5-2)20-13-17-11-12-22(3)15-19(18(17)14-21(20)24)16-9-7-6-8-10-16/h6-10,13-14,19,24H,4-5,11-12,15H2,1-3H3.
What are the key properties of 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 324.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 118721287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).