4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine

C12H11F3N2O — CID 113359456

IUPAC4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine
SMILESCC(Oc1c(N)cnc2ccccc12)C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-7(12(13,14)15)18-11-8-4-2-3-5-10(8)17-6-9(11)16/h2-7H,16H2,1H3
InChIKeyIOMKPANNJZPYCK-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.15
Rot. Bonds2

About 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine

4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine (PubChem CID 113359456) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine
PubChem CID113359456
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine
SMILESCC(Oc1c(N)cnc2ccccc12)C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-7(12(13,14)15)18-11-8-4-2-3-5-10(8)17-6-9(11)16/h2-7H,16H2,1H3
InChIKeyIOMKPANNJZPYCK-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylbutan-2-yloxy)quinolin-3-amine
CID 113359457
4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine
CID 80878281
4-cyclobutyloxyquinolin-3-amine
CID 103963709
1-(3-aminoquinolin-4-yl)ethanol
CID 118547425
4-(2-ethylhexoxy)quinolin-3-amine
CID 103963670
4-(difluoromethyl)quinolin-3-amine
CID 178080175
4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid
CID 66277591
4-(4-methylsulfanylphenoxy)quinolin-3-amine
CID 103963721
6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 66277354
5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 104507370
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine (CID 113359456) is 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine is CC(Oc1c(N)cnc2ccccc12)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine?
The InChIKey is IOMKPANNJZPYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-7(12(13,14)15)18-11-8-4-2-3-5-10(8)17-6-9(11)16/h2-7H,16H2,1H3.
What are the key properties of 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine?
4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine has a molecular weight of 256.23 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine is sourced from PubChem (CID 113359456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).