3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine

C15H17F3N2 — CID 81231447

IUPAC3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C15H17F3N2/c1-2-7-19-14(10-15(16,17)18)12-5-6-13-11(9-12)4-3-8-20-13/h3-6,8-9,14,19H,2,7,10H2,1H3
InChIKeyDVDUTTNVKGXPLS-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.23
Rot. Bonds5

About 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine

3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine (PubChem CID 81231447) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
PubChem CID81231447
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C15H17F3N2/c1-2-7-19-14(10-15(16,17)18)12-5-6-13-11(9-12)4-3-8-20-13/h3-6,8-9,14,19H,2,7,10H2,1H3
InChIKeyDVDUTTNVKGXPLS-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine (CID 81231447) is 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine is CCCNC(CC(F)(F)F)c1ccc2ncccc2c1.
What is the InChIKey of 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine?
The InChIKey is DVDUTTNVKGXPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-2-7-19-14(10-15(16,17)18)12-5-6-13-11(9-12)4-3-8-20-13/h3-6,8-9,14,19H,2,7,10H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine?
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine has a molecular weight of 282.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine is sourced from PubChem (CID 81231447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).