1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

C13H17FN4O — CID 111512493

IUPAC1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCN(Cc1ncnn1C)CC(O)c1ccccc1F
InChIInChI=1S/C13H17FN4O/c1-17(8-13-15-9-16-18(13)2)7-12(19)10-5-3-4-6-11(10)14/h3-6,9,12,19H,7-8H2,1-2H3
InChIKeyRHJDOWXJFJJMSY-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.12
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (PubChem CID 111512493) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
PubChem CID111512493
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCN(Cc1ncnn1C)CC(O)c1ccccc1F
InChIInChI=1S/C13H17FN4O/c1-17(8-13-15-9-16-18(13)2)7-12(19)10-5-3-4-6-11(10)14/h3-6,9,12,19H,7-8H2,1-2H3
InChIKeyRHJDOWXJFJJMSY-UHFFFAOYSA-N
XLogP1.12
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
CID 111512497
1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111512470
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649
1-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 111512466
1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol
CID 111916349
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
(1R)-1-(2-fluorophenyl)-2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 97136684
1-(2-chloro-3-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997772
(E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine
CID 84594365
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (CID 111512493) is 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is CN(Cc1ncnn1C)CC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The InChIKey is RHJDOWXJFJJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-17(8-13-15-9-16-18(13)2)7-12(19)10-5-3-4-6-11(10)14/h3-6,9,12,19H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol has a molecular weight of 264.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 111512493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).