8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C11H14FN — CID 84718242

IUPAC8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CCc2ccc(F)cc2CN1
InChIInChI=1S/C11H14FN/c1-8-2-3-9-4-5-11(12)6-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyXILBYECRVNMPPO-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.25
Rot. Bonds

About 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 84718242) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID84718242
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC1CCc2ccc(F)cc2CN1
InChIInChI=1S/C11H14FN/c1-8-2-3-9-4-5-11(12)6-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyXILBYECRVNMPPO-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

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Launch Full Analysis

Related Compounds

8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720669
3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10242083
7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720668
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
CID 116532178
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
N-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105462031
9-(difluoromethoxy)-4-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine
CID 64686605
(7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 83907571
7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 123421201
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 58808079
7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 79981005

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 84718242) is 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is CC1CCc2ccc(F)cc2CN1.
What is the InChIKey of 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is XILBYECRVNMPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-2-3-9-4-5-11(12)6-10(9)7-13-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 179.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 84718242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).