1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C14H19FN4O — CID 83075753

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCOc1cc(C(C)NCCc2nncn2C)ccc1F
InChIInChI=1S/C14H19FN4O/c1-10(11-4-5-12(15)13(8-11)20-3)16-7-6-14-18-17-9-19(14)2/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyPSQQJOKWUCJARN-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.86
Rot. Bonds6

About 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 83075753) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID83075753
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCOc1cc(C(C)NCCc2nncn2C)ccc1F
InChIInChI=1S/C14H19FN4O/c1-10(11-4-5-12(15)13(8-11)20-3)16-7-6-14-18-17-9-19(14)2/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyPSQQJOKWUCJARN-UHFFFAOYSA-N
XLogP1.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 83075753) is 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is COc1cc(C(C)NCCc2nncn2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is PSQQJOKWUCJARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-10(11-4-5-12(15)13(8-11)20-3)16-7-6-14-18-17-9-19(14)2/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 278.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 83075753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).