2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol

C18H19F2NO2 — CID 66964915

IUPAC2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol
SMILESCOc1ccc2c(c1)CN(C)CCC2c1cc(F)c(O)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-21-6-5-15(11-8-16(19)18(22)17(20)9-11)14-4-3-13(23-2)7-12(14)10-21/h3-4,7-9,15,22H,5-6,10H2,1-2H3
InChIKeyRYZOXGFYESAXMR-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.65
Rot. Bonds2

About 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol

2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol (PubChem CID 66964915) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol
PubChem CID66964915
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol
SMILESCOc1ccc2c(c1)CN(C)CCC2c1cc(F)c(O)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-21-6-5-15(11-8-16(19)18(22)17(20)9-11)14-4-3-13(23-2)7-12(14)10-21/h3-4,7-9,15,22H,5-6,10H2,1-2H3
InChIKeyRYZOXGFYESAXMR-UHFFFAOYSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol with MolForge

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964582
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
(5S)-5-(3,5-difluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine
CID 124563593
(5R)-5-(3,5-difluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine
CID 124563594
(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 71497003
N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
CID 110454587
7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 66885817
5-(3,5-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964444
5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 66965202
(3aS,10bR)-8-methoxy-5-methyl-2,3,3a,4,6,10b-hexahydrofuro[3,2-d][2]benzazepine
CID 102165764
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
4-(3-fluoro-4-methoxyphenyl)-2-methyl-7-(2-methyl-1-piperidin-4-ylpropoxy)-3,4-dihydro-1H-isoquinoline
CID 66885061

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol?
The IUPAC name of 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol (CID 66964915) is 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol.
What is the SMILES notation for 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol?
The canonical SMILES for 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol is COc1ccc2c(c1)CN(C)CCC2c1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol?
The InChIKey is RYZOXGFYESAXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-21-6-5-15(11-8-16(19)18(22)17(20)9-11)14-4-3-13(23-2)7-12(14)10-21/h3-4,7-9,15,22H,5-6,10H2,1-2H3.
What are the key properties of 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol?
2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol has a molecular weight of 319.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol is sourced from PubChem (CID 66964915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).