5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol

C11H14FNO — CID 84720485

IUPAC5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
SMILESCC1(F)CCNCc2c(O)cccc21
InChIInChI=1S/C11H14FNO/c1-11(12)5-6-13-7-8-9(11)3-2-4-10(8)14/h2-4,13-14H,5-7H2,1H3
InChIKeyGKPGXAOUDKKEGE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.07
Rot. Bonds

About 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol

5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol (PubChem CID 84720485) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol.

Molecular Properties

Compound Name5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
PubChem CID84720485
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
SMILESCC1(F)CCNCc2c(O)cccc21
InChIInChI=1S/C11H14FNO/c1-11(12)5-6-13-7-8-9(11)3-2-4-10(8)14/h2-4,13-14H,5-7H2,1H3
InChIKeyGKPGXAOUDKKEGE-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol with MolForge

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Launch Full Analysis

Related Compounds

4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718477
1-fluoro-1-methyl-2,3-dihydroinden-4-ol
CID 84652361
4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718894
9-bromo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84729232
8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84723595
4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol
CID 84721000
4-fluoro-4,8-dimethyl-2,3-dihydro-1H-quinoline
CID 84718184
5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84722917
(9S)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
CID 67456029
(3aR,9aR)-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indol-8-ol;hydrobromide
CID 69338364
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 84718493

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol?
The IUPAC name of 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol (CID 84720485) is 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol.
What is the SMILES notation for 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol?
The canonical SMILES for 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol is CC1(F)CCNCc2c(O)cccc21.
What is the InChIKey of 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol?
The InChIKey is GKPGXAOUDKKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(12)5-6-13-7-8-9(11)3-2-4-10(8)14/h2-4,13-14H,5-7H2,1H3.
What are the key properties of 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol?
5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol has a molecular weight of 195.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol is sourced from PubChem (CID 84720485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).