2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine

C16H20N2O — CID 177167717

IUPAC2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine
SMILESCC(C)c1ccccc1-c1cncc(OCCN)c1
InChIInChI=1S/C16H20N2O/c1-12(2)15-5-3-4-6-16(15)13-9-14(11-18-10-13)19-8-7-17/h3-6,9-12H,7-8,17H2,1-2H3
InChIKeyTYTOUGOHFPMCNB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.21
Rot. Bonds5

About 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine

2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine (PubChem CID 177167717) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine
PubChem CID177167717
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine
SMILESCC(C)c1ccccc1-c1cncc(OCCN)c1
InChIInChI=1S/C16H20N2O/c1-12(2)15-5-3-4-6-16(15)13-9-14(11-18-10-13)19-8-7-17/h3-6,9-12H,7-8,17H2,1-2H3
InChIKeyTYTOUGOHFPMCNB-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine (CID 177167717) is 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine is CC(C)c1ccccc1-c1cncc(OCCN)c1.
What is the InChIKey of 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine?
The InChIKey is TYTOUGOHFPMCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)15-5-3-4-6-16(15)13-9-14(11-18-10-13)19-8-7-17/h3-6,9-12H,7-8,17H2,1-2H3.
What are the key properties of 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine?
2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-propan-2-ylphenyl)-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 177167717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).