8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine

C17H18ClNO — CID 150757968

IUPAC8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESCN1CCc2cc(Cl)ccc2C(Oc2ccccc2)C1
InChIInChI=1S/C17H18ClNO/c1-19-10-9-13-11-14(18)7-8-16(13)17(12-19)20-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12H2,1H3
InChIKeyJXGFCSUFPAKJEI-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.95
Rot. Bonds2

About 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine

8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 150757968) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID150757968
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESCN1CCc2cc(Cl)ccc2C(Oc2ccccc2)C1
InChIInChI=1S/C17H18ClNO/c1-19-10-9-13-11-14(18)7-8-16(13)17(12-19)20-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12H2,1H3
InChIKeyJXGFCSUFPAKJEI-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine (CID 150757968) is 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine is CN1CCc2cc(Cl)ccc2C(Oc2ccccc2)C1.
What is the InChIKey of 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is JXGFCSUFPAKJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-10-9-13-11-14(18)7-8-16(13)17(12-19)20-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine?
8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 287.79 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 150757968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).