2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine

C14H16F2N2O — CID 62197887

IUPAC2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cccc(OC(F)F)c2n1
InChIInChI=1S/C14H16F2N2O/c1-14(2,3)11-7-9(17)8-5-4-6-10(12(8)18-11)19-13(15)16/h4-7,13H,1-3H3,(H2,17,18)
InChIKeyNDMFOMVFSHEAPZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.72
Rot. Bonds2

About 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine

2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine (PubChem CID 62197887) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine
PubChem CID62197887
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cccc(OC(F)F)c2n1
InChIInChI=1S/C14H16F2N2O/c1-14(2,3)11-7-9(17)8-5-4-6-10(12(8)18-11)19-13(15)16/h4-7,13H,1-3H3,(H2,17,18)
InChIKeyNDMFOMVFSHEAPZ-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-(difluoromethoxy)quinolin-4-amine
CID 62196438
2,4-ditert-butylquinolin-8-amine
CID 153459078
8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
CID 62198376
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine
CID 62892984
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2-tert-butyl-6,8-dichloroquinolin-4-amine
CID 55194614
2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine
CID 62203397
2-cyclopropyl-8-(difluoromethoxy)-N-methylquinolin-4-amine
CID 55188923
2-tert-butyl-6,8-dimethylquinolin-4-amine
CID 62201635
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
2-ethyl-8-propoxyquinolin-4-amine
CID 62203401

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine?
The IUPAC name of 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine (CID 62197887) is 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine?
The canonical SMILES for 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine is CC(C)(C)c1cc(N)c2cccc(OC(F)F)c2n1.
What is the InChIKey of 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine?
The InChIKey is NDMFOMVFSHEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-14(2,3)11-7-9(17)8-5-4-6-10(12(8)18-11)19-13(15)16/h4-7,13H,1-3H3,(H2,17,18).
What are the key properties of 2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine?
2-tert-butyl-8-(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-8-(difluoromethoxy)quinolin-4-amine is sourced from PubChem (CID 62197887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).