N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine

C14H15F3N2 — CID 63482403

IUPACN-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
SMILESCCCc1cc(NCC)c2c(F)cc(F)c(F)c2n1
InChIInChI=1S/C14H15F3N2/c1-3-5-8-6-11(18-4-2)12-9(15)7-10(16)13(17)14(12)19-8/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyJSMGIIQEDVOCPS-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.04
Rot. Bonds4

About N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine

N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine (PubChem CID 63482403) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
PubChem CID63482403
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC NameN-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
SMILESCCCc1cc(NCC)c2c(F)cc(F)c(F)c2n1
InChIInChI=1S/C14H15F3N2/c1-3-5-8-6-11(18-4-2)12-9(15)7-10(16)13(17)14(12)19-8/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyJSMGIIQEDVOCPS-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine?
The IUPAC name of N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine (CID 63482403) is N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine.
What is the SMILES notation for N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine?
The canonical SMILES for N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine is CCCc1cc(NCC)c2c(F)cc(F)c(F)c2n1.
What is the InChIKey of N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine?
The InChIKey is JSMGIIQEDVOCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-3-5-8-6-11(18-4-2)12-9(15)7-10(16)13(17)14(12)19-8/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine?
N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine has a molecular weight of 268.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine is sourced from PubChem (CID 63482403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).