2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine

C14H20N4O — CID 61346900

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)Cn1nc(C)nc1C
InChIInChI=1S/C14H20N4O/c1-4-19-14-8-6-5-7-12(14)13(15)9-18-11(3)16-10(2)17-18/h5-8,13H,4,9,15H2,1-3H3
InChIKeyCJKWCLFUNXDNAG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.99
Rot. Bonds5

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine (PubChem CID 61346900) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine
PubChem CID61346900
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)Cn1nc(C)nc1C
InChIInChI=1S/C14H20N4O/c1-4-19-14-8-6-5-7-12(14)13(15)9-18-11(3)16-10(2)17-18/h5-8,13H,4,9,15H2,1-3H3
InChIKeyCJKWCLFUNXDNAG-UHFFFAOYSA-N
XLogP1.99
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine (CID 61346900) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(N)Cn1nc(C)nc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is CJKWCLFUNXDNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-19-14-8-6-5-7-12(14)13(15)9-18-11(3)16-10(2)17-18/h5-8,13H,4,9,15H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 61346900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).