1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine

C13H13F3N2 — CID 82577521

IUPAC1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine
SMILESCc1cc(CC(C)N)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C13H13F3N2/c1-6-3-8(4-7(2)17)18-13-9(6)5-10(14)11(15)12(13)16/h3,5,7H,4,17H2,1-2H3
InChIKeyMFPRMHFPSFESHD-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.85
Rot. Bonds2

About 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine

1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine (PubChem CID 82577521) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine
PubChem CID82577521
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine
SMILESCc1cc(CC(C)N)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C13H13F3N2/c1-6-3-8(4-7(2)17)18-13-9(6)5-10(14)11(15)12(13)16/h3,5,7H,4,17H2,1-2H3
InChIKeyMFPRMHFPSFESHD-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 62744529
1-(6,7,8-trifluoro-4-methylquinolin-2-yl)ethanone
CID 82576215
1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine
CID 82577540
1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
CID 82577565
1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
CID 82575777
4-chloro-6,7,8-trifluoro-2-methylquinoline
CID 15151234
1-[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]propan-2-amine
CID 79088372
5-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526
N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine
CID 103587375
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809

Frequently Asked Questions

What is the IUPAC name of 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine?
The IUPAC name of 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine (CID 82577521) is 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine.
What is the SMILES notation for 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine?
The canonical SMILES for 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine is Cc1cc(CC(C)N)nc2c(F)c(F)c(F)cc12.
What is the InChIKey of 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine?
The InChIKey is MFPRMHFPSFESHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-6-3-8(4-7(2)17)18-13-9(6)5-10(14)11(15)12(13)16/h3,5,7H,4,17H2,1-2H3.
What are the key properties of 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine?
1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine has a molecular weight of 254.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7,8-trifluoro-4-methylquinolin-2-yl)propan-2-amine is sourced from PubChem (CID 82577521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).