2-tert-butyl-8-fluoro-5-methylquinolin-4-amine

C14H17FN2 — CID 55045601

IUPAC2-tert-butyl-8-fluoro-5-methylquinolin-4-amine
SMILESCc1ccc(F)c2nc(C(C)(C)C)cc(N)c12
InChIInChI=1S/C14H17FN2/c1-8-5-6-9(15)13-12(8)10(16)7-11(17-13)14(2,3)4/h5-7H,1-4H3,(H2,16,17)
InChIKeyVNJACHRGFIHPNJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.56
Rot. Bonds

About 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine

2-tert-butyl-8-fluoro-5-methylquinolin-4-amine (PubChem CID 55045601) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-8-fluoro-5-methylquinolin-4-amine
PubChem CID55045601
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-tert-butyl-8-fluoro-5-methylquinolin-4-amine
SMILESCc1ccc(F)c2nc(C(C)(C)C)cc(N)c12
InChIInChI=1S/C14H17FN2/c1-8-5-6-9(15)13-12(8)10(16)7-11(17-13)14(2,3)4/h5-7H,1-4H3,(H2,16,17)
InChIKeyVNJACHRGFIHPNJ-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine (CID 55045601) is 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine is Cc1ccc(F)c2nc(C(C)(C)C)cc(N)c12.
What is the InChIKey of 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine?
The InChIKey is VNJACHRGFIHPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-8-5-6-9(15)13-12(8)10(16)7-11(17-13)14(2,3)4/h5-7H,1-4H3,(H2,16,17).
What are the key properties of 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine?
2-tert-butyl-8-fluoro-5-methylquinolin-4-amine has a molecular weight of 232.30 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-fluoro-5-methylquinolin-4-amine is sourced from PubChem (CID 55045601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).