2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine

C14H16F2N2O — CID 62196438

IUPAC2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C14H16F2N2O/c1-14(2,3)12-7-10(17)9-6-8(19-13(15)16)4-5-11(9)18-12/h4-7,13H,1-3H3,(H2,17,18)
InChIKeyBEASSMYGXGDKND-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.72
Rot. Bonds2

About 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine

2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine (PubChem CID 62196438) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine
PubChem CID62196438
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C14H16F2N2O/c1-14(2,3)12-7-10(17)9-6-8(19-13(15)16)4-5-11(9)18-12/h4-7,13H,1-3H3,(H2,17,18)
InChIKeyBEASSMYGXGDKND-UHFFFAOYSA-N
XLogP3.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-methoxyquinolin-4-amine
CID 55045942
2-tert-butyl-6-methylquinolin-4-amine
CID 62202003
6-bromo-2-tert-butylquinolin-4-amine
CID 62196775
2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine
CID 62197887
1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine
CID 82449834
4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
CID 63409240
6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 62203089
6-(difluoromethoxy)-N-ethyl-2-propylquinolin-4-amine
CID 63481314
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
CID 143751543
2-(difluoromethyl)-6-phenoxyquinolin-4-amine
CID 62891595
2-(1,1-difluoroethyl)quinolin-4-amine
CID 170616673
2-methyl-6-(4-methylphenoxy)quinolin-4-amine
CID 62197727

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine?
The IUPAC name of 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine (CID 62196438) is 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine is CC(C)(C)c1cc(N)c2cc(OC(F)F)ccc2n1.
What is the InChIKey of 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine?
The InChIKey is BEASSMYGXGDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-14(2,3)12-7-10(17)9-6-8(19-13(15)16)4-5-11(9)18-12/h4-7,13H,1-3H3,(H2,17,18).
What are the key properties of 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine?
2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine has a molecular weight of 266.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(difluoromethoxy)quinolin-4-amine is sourced from PubChem (CID 62196438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).