3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine

C13H13F3N2O — CID 82957817

IUPAC3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)5-6-19-8-10-7-9-3-1-2-4-11(9)18-12(10)17/h1-4,7H,5-6,8H2,(H2,17,18)
InChIKeyXKAAQJHVAFNCBJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.29
Rot. Bonds4

About 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine

3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine (PubChem CID 82957817) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine
PubChem CID82957817
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)5-6-19-8-10-7-9-3-1-2-4-11(9)18-12(10)17/h1-4,7H,5-6,8H2,(H2,17,18)
InChIKeyXKAAQJHVAFNCBJ-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.29
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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Related Compounds

3-[(Benzyloxy)methyl]-5-fluoro-2-methylquinolin-4-amine
CID 11098484
3-Butoxymethyl-2-(4-methyl-piperazin-1-yl)-4-phenyl-quinoline
CID 44286630
1H,3H,4H-pyrano[4,3-b]quinolin-10-amine
CID 14372822
8-Fluoro-4-methyl-1,3-dihydrofuro[3,4-c]quinoline
CID 2816003
6-(5,5-Dimethyl-[1,3]dioxan-2-yl)-quinolin-2-ylamine
CID 10400290
6-[1,3]Dioxan-2-yl-quinolin-2-ylamine
CID 11195579
6-[1,3]Dioxolan-2-yl-quinolin-2-ylamine
CID 11287377
2-Amino-7-methoxy-3-methylquinoline hydrochloride
CID 43865992
Pyrano[4,3-b]quinoline
CID 20092794
(2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 15978937
7-Methoxy-3-methyl-2-quinolinamine
CID 17039639
2-Amino-4-ethoxy-6-fluoroquinoline
CID 20368830

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine?
The IUPAC name of 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine (CID 82957817) is 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine is Nc1nc2ccccc2cc1COCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine?
The InChIKey is XKAAQJHVAFNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)5-6-19-8-10-7-9-3-1-2-4-11(9)18-12(10)17/h1-4,7H,5-6,8H2,(H2,17,18).
What are the key properties of 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine?
3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine has a molecular weight of 270.25 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxymethyl)quinolin-2-amine is sourced from PubChem (CID 82957817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).