2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H13FN4 — CID 105373987

IUPAC2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ncn[nH]1
InChIInChI=1S/C11H13FN4/c1-7-2-3-9(12)4-8(7)5-10(13)11-14-6-15-16-11/h2-4,6,10H,5,13H2,1H3,(H,14,15,16)
InChIKeyFXRQJBYRLKTUNC-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.49
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 105373987) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID105373987
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ncn[nH]1
InChIInChI=1S/C11H13FN4/c1-7-2-3-9(12)4-8(7)5-10(13)11-14-6-15-16-11/h2-4,6,10H,5,13H2,1H3,(H,14,15,16)
InChIKeyFXRQJBYRLKTUNC-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362662
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
2-(2-fluoro-3-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113453797
(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362958
2-(4-chloro-2-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114855881
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
N-[2-(4-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114347986
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105377301
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
1-(2,6-dichlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376936

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 105373987) is 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is Cc1ccc(F)cc1CC(N)c1ncn[nH]1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is FXRQJBYRLKTUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7-2-3-9(12)4-8(7)5-10(13)11-14-6-15-16-11/h2-4,6,10H,5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 105373987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).