2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol

C18H19NO — CID 125480983

IUPAC2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol
SMILESCc1ccc(C2=CCN(C)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C18H19NO/c1-13-3-5-14(6-4-13)18-9-10-19(2)12-15-11-16(20)7-8-17(15)18/h3-9,11,20H,10,12H2,1-2H3
InChIKeyRFDRFNZCUDMXAS-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.58
Rot. Bonds1

About 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol

2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol (PubChem CID 125480983) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol
PubChem CID125480983
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol
SMILESCc1ccc(C2=CCN(C)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C18H19NO/c1-13-3-5-14(6-4-13)18-9-10-19(2)12-15-11-16(20)7-8-17(15)18/h3-9,11,20H,10,12H2,1-2H3
InChIKeyRFDRFNZCUDMXAS-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol (CID 125480983) is 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol is Cc1ccc(C2=CCN(C)Cc3cc(O)ccc32)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol?
The InChIKey is RFDRFNZCUDMXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-3-5-14(6-4-13)18-9-10-19(2)12-15-11-16(20)7-8-17(15)18/h3-9,11,20H,10,12H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol?
2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol has a molecular weight of 265.36 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-1,3-dihydro-2-benzazepin-8-ol is sourced from PubChem (CID 125480983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).