4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride

C20H21ClN2O — CID 45263969

IUPAC4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride
SMILESC1=C(c2ccccc2)C(N2CCOCC2)=Nc2ccccc2C1.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-2-6-16(7-3-1)18-11-10-17-8-4-5-9-19(17)21-20(18)22-12-14-23-15-13-22;/h1-9,11H,10,12-15H2;1H
InChIKeyBMKKLMAGGAWJAZ-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.11
Rot. Bonds1

About 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride

4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride (PubChem CID 45263969) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride
PubChem CID45263969
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride
SMILESC1=C(c2ccccc2)C(N2CCOCC2)=Nc2ccccc2C1.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-2-6-16(7-3-1)18-11-10-17-8-4-5-9-19(17)21-20(18)22-12-14-23-15-13-22;/h1-9,11H,10,12-15H2;1H
InChIKeyBMKKLMAGGAWJAZ-UHFFFAOYSA-N
XLogP4.11
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride?
The IUPAC name of 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride (CID 45263969) is 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride is C1=C(c2ccccc2)C(N2CCOCC2)=Nc2ccccc2C1.Cl.
What is the InChIKey of 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride?
The InChIKey is BMKKLMAGGAWJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.ClH/c1-2-6-16(7-3-1)18-11-10-17-8-4-5-9-19(17)21-20(18)22-12-14-23-15-13-22;/h1-9,11H,10,12-15H2;1H.
What are the key properties of 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride?
4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-5H-1-benzazepin-2-yl)morpholine;hydrochloride is sourced from PubChem (CID 45263969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).