[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine

C18H15F3N2O — CID 135373975

IUPAC[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
SMILESCc1cnc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2c1
InChIInChI=1S/C18H15F3N2O/c1-11-8-15-12(9-22)2-7-16(17(15)23-10-11)24-14-5-3-13(4-6-14)18(19,20)21/h2-8,10H,9,22H2,1H3
InChIKeyXUHUGKTZMMQNKV-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.81
Rot. Bonds3

About [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine

[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine (PubChem CID 135373975) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
PubChem CID135373975
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
SMILESCc1cnc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2c1
InChIInChI=1S/C18H15F3N2O/c1-11-8-15-12(9-22)2-7-16(17(15)23-10-11)24-14-5-3-13(4-6-14)18(19,20)21/h2-8,10H,9,22H2,1H3
InChIKeyXUHUGKTZMMQNKV-UHFFFAOYSA-N
XLogP4.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine?
The IUPAC name of [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine (CID 135373975) is [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine.
What is the SMILES notation for [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine?
The canonical SMILES for [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine is Cc1cnc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2c1.
What is the InChIKey of [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine?
The InChIKey is XUHUGKTZMMQNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-11-8-15-12(9-22)2-7-16(17(15)23-10-11)24-14-5-3-13(4-6-14)18(19,20)21/h2-8,10H,9,22H2,1H3.
What are the key properties of [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine?
[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine has a molecular weight of 332.33 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine is sourced from PubChem (CID 135373975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).