2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine

C14H20FN3 — CID 112566831

IUPAC2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
SMILESCC(C)C(F)(CN)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H20FN3/c1-10(2)14(15,9-16)8-12-11-6-4-5-7-13(11)18(3)17-12/h4-7,10H,8-9,16H2,1-3H3
InChIKeyDJQLGLQCIMXKNU-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.44
Rot. Bonds4

About 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine

2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine (PubChem CID 112566831) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
PubChem CID112566831
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
SMILESCC(C)C(F)(CN)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H20FN3/c1-10(2)14(15,9-16)8-12-11-6-4-5-7-13(11)18(3)17-12/h4-7,10H,8-9,16H2,1-3H3
InChIKeyDJQLGLQCIMXKNU-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine (CID 112566831) is 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine is CC(C)C(F)(CN)Cc1nn(C)c2ccccc12.
What is the InChIKey of 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The InChIKey is DJQLGLQCIMXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-10(2)14(15,9-16)8-12-11-6-4-5-7-13(11)18(3)17-12/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 112566831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).