2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride

C13H17ClF2N4O — CID 155970351

IUPAC2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride
SMILESCl.Cn1ncnc1C(Cc1ccc(F)cc1F)NCCO
InChIInChI=1S/C13H16F2N4O.ClH/c1-19-13(17-8-18-19)12(16-4-5-20)6-9-2-3-10(14)7-11(9)15;/h2-3,7-8,12,16,20H,4-6H2,1H3;1H
InChIKeyDQQKXWSAHGVYDD-UHFFFAOYSA-N
MW318.75 g/mol
LogP1.38
Rot. Bonds6

About 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride

2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride (PubChem CID 155970351) has the molecular formula C13H17ClF2N4O and a molecular weight of 318.75 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride
PubChem CID155970351
Molecular FormulaC13H17ClF2N4O
Molecular Weight318.75 g/mol
Exact Mass318.11
IUPAC Name2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride
SMILESCl.Cn1ncnc1C(Cc1ccc(F)cc1F)NCCO
InChIInChI=1S/C13H16F2N4O.ClH/c1-19-13(17-8-18-19)12(16-4-5-20)6-9-2-3-10(14)7-11(9)15;/h2-3,7-8,12,16,20H,4-6H2,1H3;1H
InChIKeyDQQKXWSAHGVYDD-UHFFFAOYSA-N
XLogP1.38
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride 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-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
N-[2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360793
N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 104997839
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105117344
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105117177
N-[1-(2-bromo-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104997928
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 124754968
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N-[1-(3-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethyl]propan-1-amine
CID 80529432
[2-(2,4-difluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264740

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride (CID 155970351) is 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride is Cl.Cn1ncnc1C(Cc1ccc(F)cc1F)NCCO.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride?
The InChIKey is DQQKXWSAHGVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O.ClH/c1-19-13(17-8-18-19)12(16-4-5-20)6-9-2-3-10(14)7-11(9)15;/h2-3,7-8,12,16,20H,4-6H2,1H3;1H.
What are the key properties of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride?
2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride has a molecular weight of 318.75 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol;hydrochloride is sourced from PubChem (CID 155970351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).