2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine

C15H22FN3 — CID 112567902

IUPAC2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C15H22FN3/c1-3-9-15(16,11-17)10-13-12-7-5-6-8-14(12)19(4-2)18-13/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyXWUUHKNVBBVQEV-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.07
Rot. Bonds6

About 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine

2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine (PubChem CID 112567902) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
PubChem CID112567902
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C15H22FN3/c1-3-9-15(16,11-17)10-13-12-7-5-6-8-14(12)19(4-2)18-13/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyXWUUHKNVBBVQEV-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine?
The IUPAC name of 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine (CID 112567902) is 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine.
What is the SMILES notation for 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine?
The canonical SMILES for 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine is CCCC(F)(CN)Cc1nn(CC)c2ccccc12.
What is the InChIKey of 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine?
The InChIKey is XWUUHKNVBBVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-3-9-15(16,11-17)10-13-12-7-5-6-8-14(12)19(4-2)18-13/h5-8H,3-4,9-11,17H2,1-2H3.
What are the key properties of 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine?
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine is sourced from PubChem (CID 112567902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).