[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine

C12H11F3N2 — CID 82573650

IUPAC[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
SMILESCc1cc(CN)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C12H11F3N2/c1-7-5-8(6-16)17-11-9(7)3-2-4-10(11)12(13,14)15/h2-5H,6,16H2,1H3
InChIKeyMNESDANUGJZFLL-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.02
Rot. Bonds1

About [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine

[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine (PubChem CID 82573650) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
PubChem CID82573650
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
SMILESCc1cc(CN)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C12H11F3N2/c1-7-5-8(6-16)17-11-9(7)3-2-4-10(11)12(13,14)15/h2-5H,6,16H2,1H3
InChIKeyMNESDANUGJZFLL-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,8-dimethylquinolin-2-yl)methanamine
CID 82573614
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine
CID 82577030
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
[8-(trifluoromethyl)quinazolin-4-yl]methanamine
CID 105484372
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
(4,6,8-trimethylquinolin-2-yl)methanamine
CID 82573618
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
CID 20711982
[2,8-bis(trifluoromethyl)quinolin-4-yl]-deuteriomethanol
CID 88591212

Frequently Asked Questions

What is the IUPAC name of [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine?
The IUPAC name of [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine (CID 82573650) is [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine?
The canonical SMILES for [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine is Cc1cc(CN)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine?
The InChIKey is MNESDANUGJZFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-7-5-8(6-16)17-11-9(7)3-2-4-10(11)12(13,14)15/h2-5H,6,16H2,1H3.
What are the key properties of [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine?
[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine has a molecular weight of 240.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine is sourced from PubChem (CID 82573650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).