3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine

C14H16F2N2 — CID 63386267

IUPAC3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine
SMILESCNc1nc2c(F)c(F)ccc2cc1C(C)(C)C
InChIInChI=1S/C14H16F2N2/c1-14(2,3)9-7-8-5-6-10(15)11(16)12(8)18-13(9)17-4/h5-7H,1-4H3,(H,17,18)
InChIKeyDSJIZYOYAIKNLI-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.85
Rot. Bonds1

About 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine

3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine (PubChem CID 63386267) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine
PubChem CID63386267
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine
SMILESCNc1nc2c(F)c(F)ccc2cc1C(C)(C)C
InChIInChI=1S/C14H16F2N2/c1-14(2,3)9-7-8-5-6-10(15)11(16)12(8)18-13(9)17-4/h5-7H,1-4H3,(H,17,18)
InChIKeyDSJIZYOYAIKNLI-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine (CID 63386267) is 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine is CNc1nc2c(F)c(F)ccc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine?
The InChIKey is DSJIZYOYAIKNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-14(2,3)9-7-8-5-6-10(15)11(16)12(8)18-13(9)17-4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine?
3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine has a molecular weight of 250.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine is sourced from PubChem (CID 63386267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).