7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol

C17H20N2O — CID 118711253

IUPAC7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
SMILESCN1CCc2cc(O)c(N)cc2C(c2ccccc2)C1
InChIInChI=1S/C17H20N2O/c1-19-8-7-13-9-17(20)16(18)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11,18H2,1H3
InChIKeyCRJSRJODHRMHOZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.59
Rot. Bonds1

About 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol

7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol (PubChem CID 118711253) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol.

Molecular Properties

Compound Name7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
PubChem CID118711253
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
SMILESCN1CCc2cc(O)c(N)cc2C(c2ccccc2)C1
InChIInChI=1S/C17H20N2O/c1-19-8-7-13-9-17(20)16(18)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11,18H2,1H3
InChIKeyCRJSRJODHRMHOZ-UHFFFAOYSA-N
XLogP2.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
The IUPAC name of 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol (CID 118711253) is 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol.
What is the SMILES notation for 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
The canonical SMILES for 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol is CN1CCc2cc(O)c(N)cc2C(c2ccccc2)C1.
What is the InChIKey of 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
The InChIKey is CRJSRJODHRMHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19-8-7-13-9-17(20)16(18)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11,18H2,1H3.
What are the key properties of 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol has a molecular weight of 268.36 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol is sourced from PubChem (CID 118711253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).