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

C14H15F3N2 — CID 63232729

IUPACN-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
SMILESCNc1nc2c(C(F)(F)F)cccc2cc1C(C)C
InChIInChI=1S/C14H15F3N2/c1-8(2)10-7-9-5-4-6-11(14(15,16)17)12(9)19-13(10)18-3/h4-8H,1-3H3,(H,18,19)
InChIKeyPPJKJIVSCUIYPU-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.42
Rot. Bonds2

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

N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine (PubChem CID 63232729) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
PubChem CID63232729
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC NameN-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
SMILESCNc1nc2c(C(F)(F)F)cccc2cc1C(C)C
InChIInChI=1S/C14H15F3N2/c1-8(2)10-7-9-5-4-6-11(14(15,16)17)12(9)19-13(10)18-3/h4-8H,1-3H3,(H,18,19)
InChIKeyPPJKJIVSCUIYPU-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine (CID 63232729) is N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine is CNc1nc2c(C(F)(F)F)cccc2cc1C(C)C.
What is the InChIKey of N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine?
The InChIKey is PPJKJIVSCUIYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-8(2)10-7-9-5-4-6-11(14(15,16)17)12(9)19-13(10)18-3/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine?
N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 63232729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).