[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine

C17H19FN2 — CID 79516544

IUPAC[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine
SMILESNCc1c(F)cccc1N1CCc2ccccc2CC1
InChIInChI=1S/C17H19FN2/c18-16-6-3-7-17(15(16)12-19)20-10-8-13-4-1-2-5-14(13)9-11-20/h1-7H,8-12,19H2
InChIKeyLZFVJUVWSCPTGB-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.89
Rot. Bonds2

About [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine

[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine (PubChem CID 79516544) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine
PubChem CID79516544
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine
SMILESNCc1c(F)cccc1N1CCc2ccccc2CC1
InChIInChI=1S/C17H19FN2/c18-16-6-3-7-17(15(16)12-19)20-10-8-13-4-1-2-5-14(13)9-11-20/h1-7H,8-12,19H2
InChIKeyLZFVJUVWSCPTGB-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine (CID 79516544) is [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine is NCc1c(F)cccc1N1CCc2ccccc2CC1.
What is the InChIKey of [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine?
The InChIKey is LZFVJUVWSCPTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-16-6-3-7-17(15(16)12-19)20-10-8-13-4-1-2-5-14(13)9-11-20/h1-7H,8-12,19H2.
What are the key properties of [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine?
[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine has a molecular weight of 270.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine is sourced from PubChem (CID 79516544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).