N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine

C14H15F3N2S — CID 133412324

IUPACN-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCSCCN(C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H15F3N2S/c1-19(7-8-20-2)13-5-6-18-12-9-10(14(15,16)17)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3
InChIKeyZPRBBPCQXJNSOJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.05
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine

N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133412324) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133412324
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCSCCN(C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H15F3N2S/c1-19(7-8-20-2)13-5-6-18-12-9-10(14(15,16)17)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3
InChIKeyZPRBBPCQXJNSOJ-UHFFFAOYSA-N
XLogP4.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177479384
N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177412301
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133413138
N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide
CID 133401846
N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133433816
N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401090
N-ethyl-N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 123961261
2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 152740170
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]amino]ethylamino]propan-2-ol
CID 71202655
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine (CID 133412324) is N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine is CSCCN(C)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is ZPRBBPCQXJNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-19(7-8-20-2)13-5-6-18-12-9-10(14(15,16)17)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine?
N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 300.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133412324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).