N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine

C15H16ClFN2O — CID 115498675

IUPACN-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O/c1-15(2,3)19-13-5-4-6-14(18-13)20-12-8-7-10(17)9-11(12)16/h4-9H,1-3H3,(H,18,19)
InChIKeyQCEQZMILLAGEKT-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.88
Rot. Bonds3

About N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine

N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine (PubChem CID 115498675) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine
PubChem CID115498675
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O/c1-15(2,3)19-13-5-4-6-14(18-13)20-12-8-7-10(17)9-11(12)16/h4-9H,1-3H3,(H,18,19)
InChIKeyQCEQZMILLAGEKT-UHFFFAOYSA-N
XLogP4.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine
CID 115498798
6-(2-chloro-4-fluorophenoxy)-N-propylpyridin-2-amine
CID 80867556
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916
N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298078
6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
CID 104708310
[6-(2-chloro-4-methylphenoxy)-2-pyridinyl]hydrazine
CID 80930553
N-tert-butyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107170638
2-(2-bromo-4-fluorophenoxy)-6-chloropyridine
CID 60725991
6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80882199
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
2-(4-bromo-2-chlorophenoxy)-6-fluoropyridine
CID 61229160

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine (CID 115498675) is N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine is CC(C)(C)Nc1cccc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine?
The InChIKey is QCEQZMILLAGEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-15(2,3)19-13-5-4-6-14(18-13)20-12-8-7-10(17)9-11(12)16/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine?
N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine has a molecular weight of 294.76 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine is sourced from PubChem (CID 115498675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).