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

C17H19NO — CID 5311428

IUPAC(5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCN1CCc2ccc(O)cc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19NO/c1-18-10-9-14-7-8-15(19)11-16(14)17(12-18)13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3/t17-/m1/s1
InChIKeyDNNMNDDMPUSDQC-QGZVFWFLSA-N
MW253.35 g/mol
LogP3.01
Rot. Bonds1

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

(5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 5311428) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name(5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID5311428
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCN1CCc2ccc(O)cc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H19NO/c1-18-10-9-14-7-8-15(19)11-16(14)17(12-18)13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3/t17-/m1/s1
InChIKeyDNNMNDDMPUSDQC-QGZVFWFLSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 5311428) is (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is CN1CCc2ccc(O)cc2[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is DNNMNDDMPUSDQC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-10-9-14-7-8-15(19)11-16(14)17(12-18)13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
(5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 253.35 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 5311428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).