2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine

C17H22N2O — CID 80640150

IUPAC2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
SMILESCC(C)(C)c1ccc(Oc2ccc(CCN)cn2)cc1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-5-7-15(8-6-14)20-16-9-4-13(10-11-18)12-19-16/h4-9,12H,10-11,18H2,1-3H3
InChIKeyZTTYUGORJWQVDZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.67
Rot. Bonds4

About 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine

2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine (PubChem CID 80640150) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
PubChem CID80640150
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
SMILESCC(C)(C)c1ccc(Oc2ccc(CCN)cn2)cc1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-5-7-15(8-6-14)20-16-9-4-13(10-11-18)12-19-16/h4-9,12H,10-11,18H2,1-3H3
InChIKeyZTTYUGORJWQVDZ-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
CID 80626968
5-[2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethyl]pyrimidin-2-amine
CID 164991107
2-[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 80640346
CID 163843542
CID 163843542
2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
CID 80640422
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
5-tert-butyl-2-(4-chlorophenoxy)pyridine
CID 59464073
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
CID 80639888
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
2-[6-(trifluoromethoxy)-3-pyridinyl]ethanamine
CID 156817567

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine (CID 80640150) is 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine is CC(C)(C)c1ccc(Oc2ccc(CCN)cn2)cc1.
What is the InChIKey of 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine?
The InChIKey is ZTTYUGORJWQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,3)14-5-7-15(8-6-14)20-16-9-4-13(10-11-18)12-19-16/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine?
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80640150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).