1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C14H15F3N2O — CID 103215601

IUPAC1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-20-8-11(18)7-12-6-5-10-3-1-2-4-13(10)19-12/h1-6,11H,7-9,18H2
InChIKeyIDVZTXFEBSBQCD-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.68
Rot. Bonds5

About 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215601) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215601
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-20-8-11(18)7-12-6-5-10-3-1-2-4-13(10)19-12/h1-6,11H,7-9,18H2
InChIKeyIDVZTXFEBSBQCD-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
5-ethoxy-1-quinolin-2-ylpentan-2-amine
CID 105159235
1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
1-(4-fluorophenyl)-2-quinolin-2-ylethanamine
CID 43118778
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2778952
3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116724332
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103214868
2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol
CID 18008046

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215601) is 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is IDVZTXFEBSBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)9-20-8-11(18)7-12-6-5-10-3-1-2-4-13(10)19-12/h1-6,11H,7-9,18H2.
What are the key properties of 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 284.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).