3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine

C13H13F3N2 — CID 79016384

IUPAC3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
SMILESCc1ccc2cc(C(N)CC(F)(F)F)ccc2n1
InChIInChI=1S/C13H13F3N2/c1-8-2-3-10-6-9(4-5-12(10)18-8)11(17)7-13(14,15)16/h2-6,11H,7,17H2,1H3
InChIKeyMLXYVYWYIUNFIN-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.50
Rot. Bonds2

About 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine

3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine (PubChem CID 79016384) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
PubChem CID79016384
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
SMILESCc1ccc2cc(C(N)CC(F)(F)F)ccc2n1
InChIInChI=1S/C13H13F3N2/c1-8-2-3-10-6-9(4-5-12(10)18-8)11(17)7-13(14,15)16/h2-6,11H,7,17H2,1H3
InChIKeyMLXYVYWYIUNFIN-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 105378881
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172248
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
[3-methoxy-3-methyl-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 103025433

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine (CID 79016384) is 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine is Cc1ccc2cc(C(N)CC(F)(F)F)ccc2n1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine?
The InChIKey is MLXYVYWYIUNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-8-2-3-10-6-9(4-5-12(10)18-8)11(17)7-13(14,15)16/h2-6,11H,7,17H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine?
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine has a molecular weight of 254.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine is sourced from PubChem (CID 79016384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).