1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine

C16H15FN4 — CID 114689809

IUPAC1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C16H15FN4/c1-11(18)12-7-8-15(17)14(9-12)16-10-19-20-21(16)13-5-3-2-4-6-13/h2-11H,18H2,1H3
InChIKeyKCNJOIGDOFCSRR-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.09
Rot. Bonds3

About 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine

1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine (PubChem CID 114689809) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
PubChem CID114689809
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C16H15FN4/c1-11(18)12-7-8-15(17)14(9-12)16-10-19-20-21(16)13-5-3-2-4-6-13/h2-11H,18H2,1H3
InChIKeyKCNJOIGDOFCSRR-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
5-(3-chloro-2,6-difluorophenyl)-1-phenyltriazole
CID 134343051
4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde
CID 114689678
4-chloro-2-(3-phenyltriazol-4-yl)benzoic acid
CID 107989897
(5-bromo-2-fluorophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114894453
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine (CID 114689809) is 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine is CC(N)c1ccc(F)c(-c2cnnn2-c2ccccc2)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine?
The InChIKey is KCNJOIGDOFCSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-11(18)12-7-8-15(17)14(9-12)16-10-19-20-21(16)13-5-3-2-4-6-13/h2-11H,18H2,1H3.
What are the key properties of 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine?
1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine has a molecular weight of 282.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 114689809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).