2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine

C12H15FN4 — CID 112735901

IUPAC2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1cn(C)nn1
InChIInChI=1S/C12H15FN4/c1-8-5-10(13)4-3-9(8)6-11(14)12-7-17(2)16-15-12/h3-5,7,11H,6,14H2,1-2H3
InChIKeyKRHJPDVWLBFYID-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.51
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine

2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine (PubChem CID 112735901) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine
PubChem CID112735901
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1cn(C)nn1
InChIInChI=1S/C12H15FN4/c1-8-5-10(13)4-3-9(8)6-11(14)12-7-17(2)16-15-12/h3-5,7,11H,6,14H2,1-2H3
InChIKeyKRHJPDVWLBFYID-UHFFFAOYSA-N
XLogP1.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)-1-(1-methyltriazol-4-yl)ethanamine
CID 112735844
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105188357
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 105051024
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049316
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine (CID 112735901) is 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine is Cc1cc(F)ccc1CC(N)c1cn(C)nn1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is KRHJPDVWLBFYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-8-5-10(13)4-3-9(8)6-11(14)12-7-17(2)16-15-12/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine?
2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 112735901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).