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

C16H19ClN2O — CID 115498798

IUPACN-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine
SMILESCc1ccc(Oc2cccc(NC(C)(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-11-8-9-13(12(17)10-11)20-15-7-5-6-14(18-15)19-16(2,3)4/h5-10H,1-4H3,(H,18,19)
InChIKeyOCBSRITZYQAITQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.05
Rot. Bonds3

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

N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine (PubChem CID 115498798) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine
PubChem CID115498798
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine
SMILESCc1ccc(Oc2cccc(NC(C)(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-11-8-9-13(12(17)10-11)20-15-7-5-6-14(18-15)19-16(2,3)4/h5-10H,1-4H3,(H,18,19)
InChIKeyOCBSRITZYQAITQ-UHFFFAOYSA-N
XLogP5.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine
CID 115498675
[6-(2-chloro-4-methylphenoxy)-2-pyridinyl]hydrazine
CID 80930553
6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
CID 104708310
6-(2,4-dimethylphenoxy)-N-methylpyridin-2-amine
CID 80863130
N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66468621
6-(2-chloro-4-fluorophenoxy)-N-propylpyridin-2-amine
CID 80867556
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031
6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine
CID 83134194
N-tert-butyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107170638
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine
CID 60727021
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine (CID 115498798) is N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine is Cc1ccc(Oc2cccc(NC(C)(C)C)n2)c(Cl)c1.
What is the InChIKey of N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine?
The InChIKey is OCBSRITZYQAITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-8-9-13(12(17)10-11)20-15-7-5-6-14(18-15)19-16(2,3)4/h5-10H,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine?
N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine has a molecular weight of 290.79 g/mol, XLogP of 5.05, 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-methylphenoxy)pyridin-2-amine is sourced from PubChem (CID 115498798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).