4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine

C15H16F3N3 — CID 174114905

IUPAC4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
SMILESCC1CN(c2ccc(C(F)(F)F)c3ncccc23)CC1N
InChIInChI=1S/C15H16F3N3/c1-9-7-21(8-12(9)19)13-5-4-11(15(16,17)18)14-10(13)3-2-6-20-14/h2-6,9,12H,7-8,19H2,1H3
InChIKeyHRYIHPYAJUMSNT-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.04
Rot. Bonds1

About 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine

4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine (PubChem CID 174114905) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
PubChem CID174114905
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
SMILESCC1CN(c2ccc(C(F)(F)F)c3ncccc23)CC1N
InChIInChI=1S/C15H16F3N3/c1-9-7-21(8-12(9)19)13-5-4-11(15(16,17)18)14-10(13)3-2-6-20-14/h2-6,9,12H,7-8,19H2,1H3
InChIKeyHRYIHPYAJUMSNT-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 153398901
methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate
CID 156648946
2-(3-aminoazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 129241455
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide
CID 156755881
5-methyl-N-(1-oxothietan-3-yl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 146329389
2-(1-methylpyrrolidin-3-yl)-N-[(4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 142520349
(3R)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 160946489
(3S)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 152826442
3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
CID 166776961

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine (CID 174114905) is 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine is CC1CN(c2ccc(C(F)(F)F)c3ncccc23)CC1N.
What is the InChIKey of 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine?
The InChIKey is HRYIHPYAJUMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9-7-21(8-12(9)19)13-5-4-11(15(16,17)18)14-10(13)3-2-6-20-14/h2-6,9,12H,7-8,19H2,1H3.
What are the key properties of 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine?
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine has a molecular weight of 295.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine is sourced from PubChem (CID 174114905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).