3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine

C14H16F2N2 — CID 103587512

IUPAC3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
SMILESCc1cc(F)c2nc(N)c(C(C)(C)C)cc2c1F
InChIInChI=1S/C14H16F2N2/c1-7-5-10(15)12-8(11(7)16)6-9(13(17)18-12)14(2,3)4/h5-6H,1-4H3,(H2,17,18)
InChIKeyQQAWHLVBOOARBP-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.70
Rot. Bonds

About 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine

3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine (PubChem CID 103587512) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
PubChem CID103587512
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
SMILESCc1cc(F)c2nc(N)c(C(C)(C)C)cc2c1F
InChIInChI=1S/C14H16F2N2/c1-7-5-10(15)12-8(11(7)16)6-9(13(17)18-12)14(2,3)4/h5-6H,1-4H3,(H2,17,18)
InChIKeyQQAWHLVBOOARBP-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine
CID 103587511
(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine
CID 63386017
2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine
CID 103587333
3-tert-butyl-6-methoxy-8-methylquinolin-2-amine
CID 63385968
N,3-diethyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587507
3-tert-butyl-2-chloro-5,8-difluoroquinoline
CID 63382310
N-ethyl-5,8-difluoro-6-methyl-3-propylquinolin-2-amine
CID 103587506
3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine
CID 63386357
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
7,8-difluoro-3-methylquinolin-2-amine
CID 63232819
3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
CID 103587513
8-bromo-3-tert-butylquinolin-2-amine
CID 63382033

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine (CID 103587512) is 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine is Cc1cc(F)c2nc(N)c(C(C)(C)C)cc2c1F.
What is the InChIKey of 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine?
The InChIKey is QQAWHLVBOOARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-7-5-10(15)12-8(11(7)16)6-9(13(17)18-12)14(2,3)4/h5-6H,1-4H3,(H2,17,18).
What are the key properties of 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine?
3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine has a molecular weight of 250.29 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine is sourced from PubChem (CID 103587512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).