[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine

C17H22N2O2 — CID 16786203

IUPAC[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)14-9-13(20-4)6-7-15(14)21-16-8-5-12(10-18)11-19-16/h5-9,11H,10,18H2,1-4H3
InChIKeyIMDHEZJEPLDWPY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.64
Rot. Bonds4

About [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine

[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine (PubChem CID 16786203) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
PubChem CID16786203
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)14-9-13(20-4)6-7-15(14)21-16-8-5-12(10-18)11-19-16/h5-9,11H,10,18H2,1-4H3
InChIKeyIMDHEZJEPLDWPY-UHFFFAOYSA-N
XLogP3.64
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 106504792
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
CID 62336755
2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
CID 116797637
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
CID 79530705
4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
CID 63446362
[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20987975
5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
CID 80867099
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423

Frequently Asked Questions

What is the IUPAC name of [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine (CID 16786203) is [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine is COc1ccc(Oc2ccc(CN)cn2)c(C(C)(C)C)c1.
What is the InChIKey of [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine?
The InChIKey is IMDHEZJEPLDWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)14-9-13(20-4)6-7-15(14)21-16-8-5-12(10-18)11-19-16/h5-9,11H,10,18H2,1-4H3.
What are the key properties of [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine?
[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 16786203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).