3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine

C14H15F3N2O — CID 82792969

IUPAC3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCCCC(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)6-3-7-20-9-11-8-10-4-1-2-5-12(10)19-13(11)18/h1-2,4-5,8H,3,6-7,9H2,(H2,18,19)
InChIKeyHLURLDPRHMAAEP-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.68
Rot. Bonds5

About 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine

3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine (PubChem CID 82792969) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine
PubChem CID82792969
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCCCC(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)6-3-7-20-9-11-8-10-4-1-2-5-12(10)19-13(11)18/h1-2,4-5,8H,3,6-7,9H2,(H2,18,19)
InChIKeyHLURLDPRHMAAEP-UHFFFAOYSA-N
XLogP3.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine?
The IUPAC name of 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine (CID 82792969) is 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine.
What is the SMILES notation for 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine?
The canonical SMILES for 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine is Nc1nc2ccccc2cc1COCCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine?
The InChIKey is HLURLDPRHMAAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)6-3-7-20-9-11-8-10-4-1-2-5-12(10)19-13(11)18/h1-2,4-5,8H,3,6-7,9H2,(H2,18,19).
What are the key properties of 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine?
3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutoxymethyl)quinolin-2-amine is sourced from PubChem (CID 82792969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).