N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine

C15H15F3N2O — CID 62290092

IUPACN-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COc1cc(CNC2CC2)c2ccccc2n1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)9-21-14-7-10(8-19-11-5-6-11)12-3-1-2-4-13(12)20-14/h1-4,7,11,19H,5-6,8-9H2
InChIKeyUTGAZKUSTXBENT-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.43
Rot. Bonds5

About N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine

N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine (PubChem CID 62290092) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine
PubChem CID62290092
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COc1cc(CNC2CC2)c2ccccc2n1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)9-21-14-7-10(8-19-11-5-6-11)12-3-1-2-4-13(12)20-14/h1-4,7,11,19H,5-6,8-9H2
InChIKeyUTGAZKUSTXBENT-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 106205442
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 114470590
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine
CID 62294024
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
CID 82005872
2-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]methyl]propan-2-amine
CID 62290562
N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
CID 63377355
(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 96510071

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine (CID 62290092) is N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine is FC(F)(F)COc1cc(CNC2CC2)c2ccccc2n1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine?
The InChIKey is UTGAZKUSTXBENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)9-21-14-7-10(8-19-11-5-6-11)12-3-1-2-4-13(12)20-14/h1-4,7,11,19H,5-6,8-9H2.
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine?
N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine has a molecular weight of 296.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62290092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).