6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine

C10H13FN2 — CID 59862329

IUPAC6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
SMILESNc1ccc2c(c1F)CCCNC2
InChIInChI=1S/C10H13FN2/c11-10-8-2-1-5-13-6-7(8)3-4-9(10)12/h3-4,13H,1-2,5-6,12H2
InChIKeyXYFUYCPXEQVPPW-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.44
Rot. Bonds

About 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine

6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine (PubChem CID 59862329) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine.

Molecular Properties

Compound Name6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
PubChem CID59862329
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
SMILESNc1ccc2c(c1F)CCCNC2
InChIInChI=1S/C10H13FN2/c11-10-8-2-1-5-13-6-7(8)3-4-9(10)12/h3-4,13H,1-2,5-6,12H2
InChIKeyXYFUYCPXEQVPPW-UHFFFAOYSA-N
XLogP1.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
The IUPAC name of 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine (CID 59862329) is 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine.
What is the SMILES notation for 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
The canonical SMILES for 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine is Nc1ccc2c(c1F)CCCNC2.
What is the InChIKey of 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
The InChIKey is XYFUYCPXEQVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-10-8-2-1-5-13-6-7(8)3-4-9(10)12/h3-4,13H,1-2,5-6,12H2.
What are the key properties of 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine has a molecular weight of 180.23 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine is sourced from PubChem (CID 59862329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).