5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine

C15H17F3N2 — CID 79954929

IUPAC5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccnc2ccccc12
InChIInChI=1S/C15H17F3N2/c1-19-12(6-8-15(16,17)18)10-11-7-9-20-14-5-3-2-4-13(11)14/h2-5,7,9,12,19H,6,8,10H2,1H3
InChIKeyFLVWXBAAKOSWDU-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.71
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine

5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine (PubChem CID 79954929) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
PubChem CID79954929
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccnc2ccccc12
InChIInChI=1S/C15H17F3N2/c1-19-12(6-8-15(16,17)18)10-11-7-9-20-14-5-3-2-4-13(11)14/h2-5,7,9,12,19H,6,8,10H2,1H3
InChIKeyFLVWXBAAKOSWDU-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,5,5-trifluoro-1-quinolin-4-ylpentan-2-yl)hydrazine
CID 105248989
4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine
CID 105159304
N,4-dimethyl-1-quinolin-4-ylhexan-2-amine
CID 104997356
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
N-propan-2-yl-1-quinolin-4-ylhexan-2-amine
CID 79412792
3-ethyl-3-methoxy-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 116760813
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
4-(2-ethylbutyl)quinoline
CID 143495355
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
N,N-diethyl-3-hydrazinyl-4-quinolin-4-ylbutan-1-amine
CID 105244083
1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216898
(1-propan-2-yloxy-3-quinolin-4-ylpropan-2-yl)hydrazine
CID 105316331

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine (CID 79954929) is 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine is CNC(CCC(F)(F)F)Cc1ccnc2ccccc12.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine?
The InChIKey is FLVWXBAAKOSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-19-12(6-8-15(16,17)18)10-11-7-9-20-14-5-3-2-4-13(11)14/h2-5,7,9,12,19H,6,8,10H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine?
5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine has a molecular weight of 282.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine is sourced from PubChem (CID 79954929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).