1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine

C11H13FN4O — CID 82810870

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)c1cccc(OC)c1F
InChIInChI=1S/C11H13FN4O/c1-13-11(8-6-14-16-15-8)7-4-3-5-9(17-2)10(7)12/h3-6,11,13H,1-2H3,(H,14,15,16)
InChIKeyZXTGIYFDIHAQIQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.26
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine (PubChem CID 82810870) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine
PubChem CID82810870
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)c1cccc(OC)c1F
InChIInChI=1S/C11H13FN4O/c1-13-11(8-6-14-16-15-8)7-4-3-5-9(17-2)10(7)12/h3-6,11,13H,1-2H3,(H,14,15,16)
InChIKeyZXTGIYFDIHAQIQ-UHFFFAOYSA-N
XLogP1.26
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine (CID 82810870) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine is CNC(c1cn[nH]n1)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine?
The InChIKey is ZXTGIYFDIHAQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-13-11(8-6-14-16-15-8)7-4-3-5-9(17-2)10(7)12/h3-6,11,13H,1-2H3,(H,14,15,16).
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine has a molecular weight of 236.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 82810870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).