2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine

C14H19FN4 — CID 107522830

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine
SMILESCCc1nc(CC)n(CC(N)c2cccc(F)c2)n1
InChIInChI=1S/C14H19FN4/c1-3-13-17-14(4-2)19(18-13)9-12(16)10-6-5-7-11(15)8-10/h5-8,12H,3-4,9,16H2,1-2H3
InChIKeyZCUFFWLEHARGMQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.24
Rot. Bonds5

About 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine

2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine (PubChem CID 107522830) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine
PubChem CID107522830
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine
SMILESCCc1nc(CC)n(CC(N)c2cccc(F)c2)n1
InChIInChI=1S/C14H19FN4/c1-3-13-17-14(4-2)19(18-13)9-12(16)10-6-5-7-11(15)8-10/h5-8,12H,3-4,9,16H2,1-2H3
InChIKeyZCUFFWLEHARGMQ-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine
CID 107525442
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-nitrophenyl)ethanol
CID 97157264
1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 82692322
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 55020060
1-[2-amino-2-(3-fluorophenyl)ethyl]-4-ethylpiperazine-2,5-dione
CID 107522890
(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol
CID 103935412

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine (CID 107522830) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine is CCc1nc(CC)n(CC(N)c2cccc(F)c2)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is ZCUFFWLEHARGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-13-17-14(4-2)19(18-13)9-12(16)10-6-5-7-11(15)8-10/h5-8,12H,3-4,9,16H2,1-2H3.
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 262.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107522830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).