3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride

C17H20ClNO — CID 45262761

IUPAC3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
SMILESCN1CCc2ccc(O)cc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C17H19NO.ClH/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;1H
InChIKeyRHYVYDUSYMTHIF-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.43
Rot. Bonds1

About 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride

3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride (PubChem CID 45262761) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
PubChem CID45262761
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
SMILESCN1CCc2ccc(O)cc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C17H19NO.ClH/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;1H
InChIKeyRHYVYDUSYMTHIF-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride?
The IUPAC name of 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride (CID 45262761) is 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride.
What is the SMILES notation for 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride?
The canonical SMILES for 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride is CN1CCc2ccc(O)cc2C(c2ccccc2)C1.Cl.
What is the InChIKey of 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride?
The InChIKey is RHYVYDUSYMTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/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;1H.
What are the key properties of 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride?
3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride is sourced from PubChem (CID 45262761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).