2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine

C14H20N4O — CID 82199937

IUPAC2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine
SMILESCC(C)COc1ccc(-n2nncc2CCN)cc1
InChIInChI=1S/C14H20N4O/c1-11(2)10-19-14-5-3-12(4-6-14)18-13(7-8-15)9-16-17-18/h3-6,9,11H,7-8,10,15H2,1-2H3
InChIKeySTJGVVXDEFFELX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.80
Rot. Bonds6

About 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine

2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine (PubChem CID 82199937) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine
PubChem CID82199937
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine
SMILESCC(C)COc1ccc(-n2nncc2CCN)cc1
InChIInChI=1S/C14H20N4O/c1-11(2)10-19-14-5-3-12(4-6-14)18-13(7-8-15)9-16-17-18/h3-6,9,11H,7-8,10,15H2,1-2H3
InChIKeySTJGVVXDEFFELX-UHFFFAOYSA-N
XLogP1.80
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine (CID 82199937) is 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine is CC(C)COc1ccc(-n2nncc2CCN)cc1.
What is the InChIKey of 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine?
The InChIKey is STJGVVXDEFFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)10-19-14-5-3-12(4-6-14)18-13(7-8-15)9-16-17-18/h3-6,9,11H,7-8,10,15H2,1-2H3.
What are the key properties of 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine?
2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 82199937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).