5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine

C22H23FN2O — CID 68501977

IUPAC5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(Oc2ccccc2F)c2ccc(N3C=CC=CC3)cc2C1
InChIInChI=1S/C22H23FN2O/c1-24-14-11-21(26-22-8-4-3-7-20(22)23)19-10-9-18(15-17(19)16-24)25-12-5-2-6-13-25/h2-10,12,15,21H,11,13-14,16H2,1H3
InChIKeyKVWJGVTZTMCKSL-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.67
Rot. Bonds3

About 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine

5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 68501977) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID68501977
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(Oc2ccccc2F)c2ccc(N3C=CC=CC3)cc2C1
InChIInChI=1S/C22H23FN2O/c1-24-14-11-21(26-22-8-4-3-7-20(22)23)19-10-9-18(15-17(19)16-24)25-12-5-2-6-13-25/h2-10,12,15,21H,11,13-14,16H2,1H3
InChIKeyKVWJGVTZTMCKSL-UHFFFAOYSA-N
XLogP4.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorophenoxy)-2-methyl-8-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 25156855
5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 68506660
5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 66965202
2-[5-(3,5-difluorophenoxy)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]benzonitrile
CID 68502466
2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 25156583
2-methyl-5-phenoxy-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 25156308
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
2,6-difluoro-4-(8-methoxy-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-5-yl)phenol
CID 66964915
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine
CID 66964945
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
1-[4-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25253689

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine (CID 68501977) is 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine is CN1CCC(Oc2ccccc2F)c2ccc(N3C=CC=CC3)cc2C1.
What is the InChIKey of 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is KVWJGVTZTMCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-24-14-11-21(26-22-8-4-3-7-20(22)23)19-10-9-18(15-17(19)16-24)25-12-5-2-6-13-25/h2-10,12,15,21H,11,13-14,16H2,1H3.
What are the key properties of 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine?
5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 350.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 68501977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).