2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine

C11H12F2N4 — CID 103517148

IUPAC2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(c1cnnn1-c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2N4/c1-14-10(11(12)13)9-7-15-16-17(9)8-5-3-2-4-6-8/h2-7,10-11,14H,1H3
InChIKeyXOIZRVGYOKLBAN-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.79
Rot. Bonds4

About 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine

2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine (PubChem CID 103517148) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
PubChem CID103517148
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(c1cnnn1-c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2N4/c1-14-10(11(12)13)9-7-15-16-17(9)8-5-3-2-4-6-8/h2-7,10-11,14H,1H3
InChIKeyXOIZRVGYOKLBAN-UHFFFAOYSA-N
XLogP1.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114688914
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114688838
N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687713
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 105043162
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine (CID 103517148) is 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine is CNC(c1cnnn1-c1ccccc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
The InChIKey is XOIZRVGYOKLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-14-10(11(12)13)9-7-15-16-17(9)8-5-3-2-4-6-8/h2-7,10-11,14H,1H3.
What are the key properties of 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine has a molecular weight of 238.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 103517148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).