3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine

C14H15F3N2 — CID 55231081

IUPAC3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c(C(F)(F)F)nc2c(C(C)C)cccc2c1N
InChIInChI=1S/C14H15F3N2/c1-7(2)9-5-4-6-10-11(18)8(3)13(14(15,16)17)19-12(9)10/h4-7H,1-3H3,(H2,18,19)
InChIKeyJLKZRLMGRLPOHZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.27
Rot. Bonds1

About 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine

3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 55231081) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID55231081
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c(C(F)(F)F)nc2c(C(C)C)cccc2c1N
InChIInChI=1S/C14H15F3N2/c1-7(2)9-5-4-6-10-11(18)8(3)13(14(15,16)17)19-12(9)10/h4-7H,1-3H3,(H2,18,19)
InChIKeyJLKZRLMGRLPOHZ-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine (CID 55231081) is 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine is Cc1c(C(F)(F)F)nc2c(C(C)C)cccc2c1N.
What is the InChIKey of 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JLKZRLMGRLPOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-7(2)9-5-4-6-10-11(18)8(3)13(14(15,16)17)19-12(9)10/h4-7H,1-3H3,(H2,18,19).
What are the key properties of 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 268.28 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 55231081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).