8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C24H25ClN2O — CID 118711255

IUPAC8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C24H25ClN2O/c1-27-11-10-19-13-23(26-15-17-6-5-9-20(25)12-17)24(28)14-21(19)22(16-27)18-7-3-2-4-8-18/h2-9,12-14,22,26,28H,10-11,15-16H2,1H3
InChIKeyYHMQCSCPZGQBBF-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.28
Rot. Bonds4

About 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 118711255) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID118711255
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C24H25ClN2O/c1-27-11-10-19-13-23(26-15-17-6-5-9-20(25)12-17)24(28)14-21(19)22(16-27)18-7-3-2-4-8-18/h2-9,12-14,22,26,28H,10-11,15-16H2,1H3
InChIKeyYHMQCSCPZGQBBF-UHFFFAOYSA-N
XLogP5.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6aS,13bR)-3-amino-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
CID 46231646
8-Chloro-3-[(E)-3-(4-dimethylamino-phenyl)-allyl]-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
CID 10071501
8-Chloro-3-[2-(4-dimethylamino-phenyl)-ethyl]-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
CID 10574176
(R)-8-chloro-3-methyl-5-(4-((phenylamino)methyl)phenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
CID 46231589
8-Amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711252
7-Amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
CID 118711253
8-(Benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711254
3-Methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711256
3-Methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711257
3-Methyl-8-[(4-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711258
N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide
CID 118711259
8-(Diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118721287

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 118711255) is 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(c2ccccc2)C1.
What is the InChIKey of 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is YHMQCSCPZGQBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-27-11-10-19-13-23(26-15-17-6-5-9-20(25)12-17)24(28)14-21(19)22(16-27)18-7-3-2-4-8-18/h2-9,12-14,22,26,28H,10-11,15-16H2,1H3.
What are the key properties of 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 392.93 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 118711255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).