(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine

C10H13FN2 — CID 82408944

IUPAC(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
SMILESNCC1CNc2ccc(F)cc2C1
InChIInChI=1S/C10H13FN2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,13H,3,5-6,12H2
InChIKeyRMZZERPHGSSNNS-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.37
Rot. Bonds1

About (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine

(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine (PubChem CID 82408944) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
PubChem CID82408944
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
SMILESNCC1CNc2ccc(F)cc2C1
InChIInChI=1S/C10H13FN2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,13H,3,5-6,12H2
InChIKeyRMZZERPHGSSNNS-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The IUPAC name of (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine (CID 82408944) is (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine.
What is the SMILES notation for (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The canonical SMILES for (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine is NCC1CNc2ccc(F)cc2C1.
What is the InChIKey of (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The InChIKey is RMZZERPHGSSNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,13H,3,5-6,12H2.
What are the key properties of (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine has a molecular weight of 180.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine is sourced from PubChem (CID 82408944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).