5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine

C14H15F3N2 — CID 62915678

IUPAC5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCNc1c(C(C)C)c(C)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C14H15F3N2/c1-6(2)10-7(3)19-13-9(16)5-8(15)12(17)11(13)14(10)18-4/h5-6H,1-4H3,(H,18,19)
InChIKeyJOKVBGABBRJDQE-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.13
Rot. Bonds2

About 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine

5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine (PubChem CID 62915678) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
PubChem CID62915678
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCNc1c(C(C)C)c(C)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C14H15F3N2/c1-6(2)10-7(3)19-13-9(16)5-8(15)12(17)11(13)14(10)18-4/h5-6H,1-4H3,(H,18,19)
InChIKeyJOKVBGABBRJDQE-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine (CID 62915678) is 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine is CNc1c(C(C)C)c(C)nc2c(F)cc(F)c(F)c12.
What is the InChIKey of 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is JOKVBGABBRJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-6(2)10-7(3)19-13-9(16)5-8(15)12(17)11(13)14(10)18-4/h5-6H,1-4H3,(H,18,19).
What are the key properties of 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine?
5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 268.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 62915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).