1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine

C15H22N4O — CID 107050660

IUPAC1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ccccc1OCC
InChIInChI=1S/C15H22N4O/c1-4-16-14(10-12-11-19(3)18-17-12)13-8-6-7-9-15(13)20-5-2/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyJUFYGSZIFSYHTJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.11
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine

1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107050660) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107050660
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ccccc1OCC
InChIInChI=1S/C15H22N4O/c1-4-16-14(10-12-11-19(3)18-17-12)13-8-6-7-9-15(13)20-5-2/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyJUFYGSZIFSYHTJ-UHFFFAOYSA-N
XLogP2.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107051522
N-ethyl-2-(1-methyltriazol-4-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 107064291
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619818
N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine
CID 107048978
N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050554
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451
1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063898
N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 107064481
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968
1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61066488
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107050660) is 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine is CCNC(Cc1cn(C)nn1)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is JUFYGSZIFSYHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-16-14(10-12-11-19(3)18-17-12)13-8-6-7-9-15(13)20-5-2/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107050660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).