N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine

C14H15F3N2 — CID 55231276

IUPACN-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1c(C)c(C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C14H15F3N2/c1-4-18-12-9(3)13(14(15,16)17)19-11-8(2)6-5-7-10(11)12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyWEKQOCFKSUAODM-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.30
Rot. Bonds2

About N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine

N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 55231276) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID55231276
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC NameN-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1c(C)c(C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C14H15F3N2/c1-4-18-12-9(3)13(14(15,16)17)19-11-8(2)6-5-7-10(11)12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyWEKQOCFKSUAODM-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 55231276) is N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine is CCNc1c(C)c(C(F)(F)F)nc2c(C)cccc12.
What is the InChIKey of N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is WEKQOCFKSUAODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-4-18-12-9(3)13(14(15,16)17)19-11-8(2)6-5-7-10(11)12/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 268.28 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 55231276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).