N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine

C17H22N2O2 — CID 115498695

IUPACN-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine
SMILESCCOc1ccc(Oc2cccc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C17H22N2O2/c1-5-20-13-9-11-14(12-10-13)21-16-8-6-7-15(18-16)19-17(2,3)4/h6-12H,5H2,1-4H3,(H,18,19)
InChIKeyMRKVHBKIOGMTMW-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.48
Rot. Bonds5

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

N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine (PubChem CID 115498695) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine
PubChem CID115498695
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine
SMILESCCOc1ccc(Oc2cccc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C17H22N2O2/c1-5-20-13-9-11-14(12-10-13)21-16-8-6-7-15(18-16)19-17(2,3)4/h6-12H,5H2,1-4H3,(H,18,19)
InChIKeyMRKVHBKIOGMTMW-UHFFFAOYSA-N
XLogP4.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butoxy-N-tert-butylpyridin-2-amine
CID 115498673
6-(3-ethoxyphenoxy)-N-ethylpyridin-2-amine
CID 80873339
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
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 115498610
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 80866499
6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
CID 104708310
6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80862814
6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine
CID 107669557
4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80862377
6-(3,4-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80874477

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine (CID 115498695) is N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine is CCOc1ccc(Oc2cccc(NC(C)(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine?
The InChIKey is MRKVHBKIOGMTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-20-13-9-11-14(12-10-13)21-16-8-6-7-15(18-16)19-17(2,3)4/h6-12H,5H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine?
N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine is sourced from PubChem (CID 115498695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).