1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine

C14H15F3N2 — CID 82577585

IUPAC1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)c2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C14H15F3N2/c1-8(18)6-10-7-9(2)19-12-5-3-4-11(13(10)12)14(15,16)17/h3-5,7-8H,6,18H2,1-2H3
InChIKeyDARDXMDILHXILJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.45
Rot. Bonds2

About 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine

1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine (PubChem CID 82577585) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine
PubChem CID82577585
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)c2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C14H15F3N2/c1-8(18)6-10-7-9(2)19-12-5-3-4-11(13(10)12)14(15,16)17/h3-5,7-8H,6,18H2,1-2H3
InChIKeyDARDXMDILHXILJ-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile
CID 82573311
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
2-(2-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311833
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081520
2-(1-aminoethyl)-3-(3,5-difluorophenyl)-5-(trifluoromethyl)quinazolin-4-one
CID 90233051
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
CID 82577565
1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 55238730
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091866
1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine
CID 81189782
4-butan-2-yloxy-5-fluoro-2-methylquinoline
CID 170016452

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine (CID 82577585) is 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine is Cc1cc(CC(C)N)c2c(C(F)(F)F)cccc2n1.
What is the InChIKey of 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine?
The InChIKey is DARDXMDILHXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-8(18)6-10-7-9(2)19-12-5-3-4-11(13(10)12)14(15,16)17/h3-5,7-8H,6,18H2,1-2H3.
What are the key properties of 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine?
1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine has a molecular weight of 268.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine is sourced from PubChem (CID 82577585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).