[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine

C17H13F3N2O — CID 135373987

IUPAC[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)11-5-7-13(8-6-11)23-16-9-12(10-21)22-15-4-2-1-3-14(15)16/h1-9H,10,21H2
InChIKeyVDKZVIWDKUTEDQ-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.50
Rot. Bonds3

About [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine

[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine (PubChem CID 135373987) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
PubChem CID135373987
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)11-5-7-13(8-6-11)23-16-9-12(10-21)22-15-4-2-1-3-14(15)16/h1-9H,10,21H2
InChIKeyVDKZVIWDKUTEDQ-UHFFFAOYSA-N
XLogP4.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine?
The IUPAC name of [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine (CID 135373987) is [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine?
The canonical SMILES for [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine is NCc1cc(Oc2ccc(C(F)(F)F)cc2)c2ccccc2n1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine?
The InChIKey is VDKZVIWDKUTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)11-5-7-13(8-6-11)23-16-9-12(10-21)22-15-4-2-1-3-14(15)16/h1-9H,10,21H2.
What are the key properties of [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine?
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine has a molecular weight of 318.30 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine is sourced from PubChem (CID 135373987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).